UCSF

ZINC37034892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 3.35 8.18 -98.98 4 2 2 32 236.403 8
Hi High (pH 8-9.5) 3.35 7.78 -34.31 3 2 1 30 235.395 8

Activity (Go SEA)

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