UCSF

ZINC37048938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -1.02 1.36 -97.31 5 6 2 68 271.409 6
Hi High (pH 8-9.5) -1.02 -1.25 -10.88 3 6 0 65 269.393 6
Hi High (pH 8-9.5) -1.02 0.71 -39.49 4 6 1 66 270.401 6
Hi High (pH 8-9.5) -1.02 -0.88 -51.94 4 6 1 66 270.401 6
Mid Mid (pH 6-8) -1.02 1.09 -110.68 5 6 2 68 271.409 6

Activity (Go SEA)

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