UCSF

ZINC07053650

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 23 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) 2.88 -8.63 -14.63 3 6 0 106 354.453 5
Hi High (pH 8-9.5) 2.88 -8.05 -45.45 2 6 -1 108 353.445 5

Activity (Go SEA)

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