UCSF

ZINC06902233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 22 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) 3.43 8.88 -18.63 1 6 0 88 317.37 3
Hi High (pH 8-9.5) 3.50 7.73 -42.8 0 6 -1 94 316.362 3

Activity (Go SEA)

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