UCSF

ZINC01128257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 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) 2.60 -6.33 -16.76 1 6 0 83 354.453 5
Hi High (pH 8-9.5) 2.60 -5.75 -52.35 0 6 -1 85 353.445 5

Activity (Go SEA)

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