UCSF

ZINC40833875

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) 1.29 9.04 -41.59 3 6 1 63 277.396 2
Mid Mid (pH 6-8) 1.29 6.67 -6.94 2 6 0 62 276.388 2
Lo Low (pH 4.5-6) 1.29 9.41 -79.79 4 6 2 64 278.404 2

Activity (Go SEA)

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