UCSF

ZINC37065253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.64 3.56 -7.47 2 4 0 62 233.315 6
Mid Mid (pH 6-8) 0.64 5.93 -45.14 3 4 1 63 234.323 6

Activity (Go SEA)

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