UCSF

ZINC45666172

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.63 1 -8.43 2 5 0 73 290.41 2
Lo Low (pH 4.5-6) 1.63 0.85 -57.02 3 5 1 74 291.418 2

Activity (Go SEA)

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