UCSF

ZINC45660827

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 1.17 1.26 -7.5 3 4 0 64 228.317 5
Lo Low (pH 4.5-6) 1.17 1.1 -35.61 4 4 1 66 229.325 5

Activity (Go SEA)

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