UCSF

ZINC44624311

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) -1.44 2.73 -64.13 4 6 0 108 266.297 6
Mid Mid (pH 6-8) -1.44 2.4 -52.23 3 6 -1 107 265.289 6

Activity (Go SEA)

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