UCSF

ZINC47979387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 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) 3.63 9.46 -46.55 1 3 1 31 291.198 6
Hi High (pH 8-9.5) 3.63 7.71 -7.03 0 3 0 30 290.19 6

Activity (Go SEA)

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