UCSF

ZINC09560765

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 22 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) 2.64 2.3 -13.4 3 6 0 95 317.37 3
Hi High (pH 8-9.5) 2.61 3.1 -45.94 2 6 1 94 316.362 3
Hi High (pH 8-9.5) 2.64 2.72 -43.89 2 6 -1 97 316.362 3

Activity (Go SEA)

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