UCSF

ZINC34475407

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 18 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) 2.20 1.61 -12.62 3 4 0 78 244.246 3
Hi High (pH 8-9.5) 2.20 2.38 -45.69 2 4 -1 81 243.238 3
Hi High (pH 8-9.5) 2.20 2.62 -54.09 2 4 -1 81 243.238 3

Activity (Go SEA)

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