UCSF

ZINC38202331

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 34 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) 3.39 10.83 -109.24 2 8 -2 139 479.425 9
Mid Mid (pH 6-8) 3.39 11.94 -211.61 1 8 -3 142 478.417 9

Activity (Go SEA)

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