UCSF

ZINC16730003

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 No

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) 6.53 13.43 -14.72 1 7 0 89 517.622 14
Mid Mid (pH 6-8) 5.94 14.13 -20.49 0 7 0 86 517.622 14

Activity (Go SEA)

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