UCSF

ZINC05968040

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 22 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) 3.92 -1.2 -44.6 3 3 1 46 300.422 7

Activity (Go SEA)

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