UCSF

ZINC34686274

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 0.87 5.5 -14.91 0 8 0 72 431.533 8
Mid Mid (pH 6-8) 0.87 7.79 -50.74 1 8 1 73 432.541 8

Activity (Go SEA)

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