UCSF

ZINC45686755

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.73 6.7 -39.48 4 4 1 55 287.431 7
Mid Mid (pH 6-8) 2.73 7.19 -73.45 5 4 2 57 288.439 7

Activity (Go SEA)

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