UCSF

ZINC65506634

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 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) 3.27 8.7 -50.29 2 5 1 60 316.425 7
Mid Mid (pH 6-8) 3.27 6.45 -14.51 1 5 0 58 315.417 7

Activity (Go SEA)

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