UCSF

ZINC45697921

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) 0.56 6.22 -95.67 3 4 2 47 204.314 9
Mid Mid (pH 6-8) 0.56 4.88 -37.25 2 4 1 43 203.306 9

Activity (Go SEA)

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