UCSF

ZINC20246085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 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) 2.30 7.31 -46.45 2 5 1 57 289.403 9
Hi High (pH 8-9.5) 2.30 5.9 -8.19 1 5 0 52 288.395 9

Activity (Go SEA)

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