UCSF

ZINC45651237

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.44 3.28 -47.36 2 4 0 60 200.282 5
Lo Low (pH 4.5-6) 0.44 5.63 -101.32 3 4 1 61 201.29 5

Activity (Go SEA)

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