UCSF

ZINC42782448

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 1.60 5.86 -92.9 3 5 2 58 309.52 11
Hi High (pH 8-9.5) 1.60 3.46 -46.95 2 5 1 57 308.512 11

Activity (Go SEA)

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