UCSF

ZINC44646853

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 0.14 5.78 -92.69 3 4 2 41 215.341 4
Hi High (pH 8-9.5) 0.14 4.42 -39.83 2 4 1 37 214.333 4

Activity (Go SEA)

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