UCSF

ZINC34685761

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 38 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) 4.61 14.75 -48.92 1 7 1 67 514.646 6
Mid Mid (pH 6-8) 4.61 12.38 -16.02 0 7 0 66 513.638 6

Activity (Go SEA)

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