UCSF

ZINC19482058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) 0.84 2.76 -111.67 5 4 2 61 215.341 4
Hi High (pH 8-9.5) 0.84 0.22 -54.8 4 4 1 60 214.333 4
Hi High (pH 8-9.5) 0.84 2.41 -40.44 4 4 1 60 214.333 4
Hi High (pH 8-9.5) 0.84 -0.13 -7.84 3 4 0 58 213.325 4

Activity (Go SEA)

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