UCSF

ZINC23282935

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 21 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) 3.76 9.71 -37.04 1 2 1 8 287.471 3
Lo Low (pH 4.5-6) 3.76 12.12 -103.68 2 2 2 9 288.479 3
Lo Low (pH 4.5-6) 3.76 9.84 -35.53 1 2 1 8 287.471 3

Activity (Go SEA)

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