UCSF

ZINC09556682

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 31 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) 3.35 5.39 -37.35 1 6 -1 90 446.533 3
Ref Reference (pH 7) 3.35 6.04 -44.71 1 6 -1 90 446.533 3

Activity (Go SEA)

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