UCSF

ZINC12317331

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 26 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) 1.12 8.86 -20.03 1 6 0 69 356.401 3
Mid Mid (pH 6-8) 1.12 9.01 -46.11 2 6 1 71 357.409 3

Activity (Go SEA)

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