UCSF

ZINC37409345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 Yes

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) 0.45 4.72 -9.5 2 4 0 59 241.294 3
Lo Low (pH 4.5-6) 0.45 5.17 -36.42 3 4 1 60 242.302 3

Activity (Go SEA)

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