UCSF

ZINC14094774

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 20 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) 0.26 3.28 -21.31 1 6 0 66 296.396 3
Mid Mid (pH 6-8) 0.08 4.65 -43.19 1 6 0 73 296.396 3

Activity (Go SEA)

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