UCSF

ZINC48404679

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 18 No

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) 0.22 1.31 -12.82 2 6 0 79 251.286 1
Hi High (pH 8-9.5) 0.41 -1.33 -44.52 1 6 -1 85 250.278 1

Activity (Go SEA)

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