UCSF

ZINC27230240

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 24 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) 3.86 7.94 -61.78 0 5 -1 74 337.38 5
Mid Mid (pH 6-8) 3.86 8.38 -33.89 1 5 0 72 338.388 5

Activity (Go SEA)

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