UCSF

ZINC08818036

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 37 No

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) 6.26 15.99 -75.64 1 6 0 74 506.687 12
Mid Mid (pH 6-8) 5.67 15.36 -46.7 1 6 1 68 507.695 12
Mid Mid (pH 6-8) 6.26 14.9 -44.89 2 6 1 71 507.695 12

Activity (Go SEA)

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