UCSF

ZINC15677711

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2008 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) 5.63 14.94 -9.76 0 4 0 38 401.554 5
Mid Mid (pH 6-8) 5.63 15.11 -26.44 1 4 1 39 402.562 5

Activity (Go SEA)

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