UCSF

ZINC20547566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 0.88 1.09 -57.2 4 5 1 83 287.405 9
Hi High (pH 8-9.5) 0.88 0.7 -14.09 3 5 0 81 286.397 9

Activity (Go SEA)

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