UCSF

ZINC40321899

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) 0.56 0.28 -14.38 3 6 0 79 296.396 4
Mid Mid (pH 6-8) 0.56 2.45 -43.98 4 6 1 80 297.404 4
Lo Low (pH 4.5-6) 0.56 2.33 -97.87 5 6 2 81 298.412 4

Activity (Go SEA)

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