UCSF

ZINC34682447

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 3.02 8.09 -40.68 2 6 1 53 449.044 7
Mid Mid (pH 6-8) 3.02 10.34 -100.95 3 6 2 54 450.052 7

Activity (Go SEA)

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