UCSF

ZINC19840241

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 36 No

Popular Name: 2-{4-nitrophenyl}-4-({[2-(4-isobutyryl-1-piperazinyl)ethyl]imino}methyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one 2-{4-nitrophenyl}-4-({[2-(4-isob…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01919425

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) 2.87 9.1 -22.13 1 10 0 120 490.564 8 ↓
Ref Reference (pH 7) 2.87 9.7 -23.3 1 10 0 120 490.564 8 ↓
Mid Mid (pH 6-8) 2.87 10.12 -53.03 2 10 1 121 491.572 8 ↓
Mid Mid (pH 6-8) 2.87 10.67 -50.79 2 10 1 121 491.572 8 ↓
Mid Mid (pH 6-8) 3.29 11.84 -59.98 1 10 1 116 491.572 8 ↓

Activity (Go SEA)

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