UCSF

ZINC37025361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 11 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) 0.34 0.86 -37.9 3 3 1 46 162.253 7
Hi High (pH 8-9.5) 0.34 -0.56 -4.03 2 3 0 41 161.245 7

Activity (Go SEA)

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