UCSF

ZINC44627137

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) 2.43 6.49 -39.27 2 3 1 43 188.291 9
Mid Mid (pH 6-8) 2.43 5.15 -4.38 1 3 0 38 187.283 9

Activity (Go SEA)

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