UCSF

ZINC57312339

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 26 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) 4.17 7.07 -54.59 3 5 1 76 354.426 6
Hi High (pH 8-9.5) 4.17 7.83 -37.89 2 5 0 79 353.418 6

Activity (Go SEA)

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