UCSF

ZINC09065134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 30 No

Popular Name: N'-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-(2-naphthyl)-1H-pyrazole-5-carbohydrazide N'-(5-bromo-2-oxo-1,2-dihydro-3H…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01914234

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.60 7.55 -13.18 3 7 0 103 460.291 3 ↓
Ref Reference (pH 7) 4.60 7.44 -16.81 3 7 0 103 460.291 3 ↓
Hi High (pH 8-9.5) 5.05 5.48 -52.18 2 7 -1 106 459.283 3 ↓
Hi High (pH 8-9.5) 5.05 5.78 -40.04 2 7 -1 106 459.283 3 ↓
Hi High (pH 8-9.5) 5.05 5.53 -48.88 2 7 -1 106 459.283 3 ↓
Hi High (pH 8-9.5) 5.51 5.92 -46.14 2 7 -1 109 459.283 3 ↓
Hi High (pH 8-9.5) 5.51 5.91 -55.42 2 7 -1 109 459.283 3 ↓
Hi High (pH 8-9.5) 5.05 5.75 -46.51 2 7 -1 106 459.283 3 ↓
Mid Mid (pH 6-8) 5.51 5.1 -20.21 3 7 0 107 460.291 3 ↓
Mid Mid (pH 6-8) 4.60 7.37 -17.23 3 7 0 103 460.291 3 ↓
Mid Mid (pH 6-8) 4.42 7.56 -36.96 4 7 1 101 461.299 4 ↓
Mid Mid (pH 6-8) 4.60 7.48 -14.82 3 7 0 103 460.291 3 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )