UCSF

ZINC12766970

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.12 8.43 -44.79 3 7 1 79 475.411 6
Mid Mid (pH 6-8) 3.12 5.96 -12.41 2 7 0 78 474.403 6

Activity (Go SEA)

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