UCSF

ZINC57381155

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 17 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) 1.32 0.38 -15.73 2 5 0 61 239.319 3
Mid Mid (pH 6-8) 1.32 2.58 -51.05 3 5 1 63 240.327 3

Activity (Go SEA)

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