UCSF

ZINC19479697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.55 3.09 -63.55 2 6 -1 99 266.273 5
Hi High (pH 8-9.5) 0.55 4.11 -129.56 1 6 -2 102 265.265 5

Activity (Go SEA)

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