UCSF

ZINC00368981

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 19 No

Popular Name: 4-(5-Methyl-3-nitro-pyrazol-1-ylmethyl)-benzoic acid 4-(5-Methyl-3-nitro-pyrazol-1-yl…

Find On: PubMed — Wikipedia — Google

CAS Number: 345952-26-3

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) 2.20 1.83 -58.4 0 7 -1 103 260.229 4 ↓

Activity (Go SEA)

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

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