UCSF

ZINC13409406

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 30 No

Popular Name: 3-[(4E)-4-(5-bromo-2-oxo-indolin-3-ylidene)-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4E)-4-(5-bromo-2-oxo-indolin…

Find On: PubMed — Wikipedia — Google

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) 3.27 1.19 -236.23 0 8 -3 130 462.239 1 ↓
Mid Mid (pH 6-8) 2.81 3.36 -146.29 1 8 -2 127 463.247 1 ↓
Mid Mid (pH 6-8) 2.81 2.84 -143.7 1 8 -2 127 463.247 1 ↓
Mid Mid (pH 6-8) 2.81 2.89 -120.08 1 8 -2 127 463.247 1 ↓
Mid Mid (pH 6-8) 2.81 2.59 -120.38 1 8 -2 127 463.247 1 ↓
Lo Low (pH 4.5-6) 2.35 4.23 -56.62 2 8 -1 124 464.255 1 ↓
Lo Low (pH 4.5-6) 2.35 4.71 -53.77 2 8 -1 124 464.255 1 ↓
Lo Low (pH 4.5-6) 2.81 1.81 -48.26 2 8 -1 124 464.255 1 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.