UCSF

ZINC47461660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2010 23 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) 3.08 7.71 -34.56 1 4 1 26 315.437 7
Mid Mid (pH 6-8) 3.08 7.62 -38 1 4 1 26 315.437 7
Mid Mid (pH 6-8) 3.08 5.37 -6.96 0 4 0 25 314.429 7

Activity (Go SEA)

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