UCSF

ZINC20070985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 1.76 5.65 -113.38 4 4 2 50 253.39 4
Hi High (pH 8-9.5) 1.76 3.24 -42.84 3 4 1 49 252.382 4
Hi High (pH 8-9.5) 1.76 4.48 -40.5 3 4 1 46 252.382 4
Hi High (pH 8-9.5) 1.76 2.07 -8.33 2 4 0 44 251.374 4

Activity (Go SEA)

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