UCSF

ZINC62959531

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 3.17 7.96 -10.1 2 3 0 42 291.464 4
Mid Mid (pH 6-8) 3.17 8.39 -35.71 3 3 1 43 292.472 4

Activity (Go SEA)

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