UCSF

ZINC10368701

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2007 30 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) 4.17 0.03 -16.9 1 6 0 64 401.466 7
Mid Mid (pH 6-8) 4.17 0.25 -35.97 2 6 1 66 402.474 7

Activity (Go SEA)

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