UCSF

ZINC62954269

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 1.37 5.97 -92.85 5 4 2 69 248.374 3
Hi High (pH 8-9.5) 1.37 5.62 -35.87 4 4 1 68 247.366 3

Activity (Go SEA)

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