UCSF

ZINC45687836

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 3.05 7.2 -47.94 2 4 1 52 353.183 9
Mid Mid (pH 6-8) 3.05 5.82 -7.58 1 4 0 48 352.175 9

Activity (Go SEA)

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