UCSF

ZINC40576193

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 21 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) 3.47 7.63 -12.29 1 4 0 59 279.295 4
Mid Mid (pH 6-8) 3.47 8.64 -57.97 0 4 -1 62 278.287 4

Activity (Go SEA)

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