UCSF

ZINC20096534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 3.32 10.29 -114.87 3 2 2 21 248.414 6
Hi High (pH 8-9.5) 3.32 7.92 -34.35 2 2 1 20 247.406 6
Hi High (pH 8-9.5) 3.32 9.3 -32 2 2 1 16 247.406 6

Activity (Go SEA)

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