UCSF

ZINC69161064

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 24 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) 2.52 7.43 -9.06 1 7 0 71 323.404 5
Mid Mid (pH 6-8) 2.52 8.07 -40.89 2 7 1 72 324.412 5
Lo Low (pH 4.5-6) 2.52 8.54 -92.95 3 7 2 74 325.42 5

Activity (Go SEA)

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