UCSF

ZINC20073024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 3.54 7.22 -114.71 4 2 2 32 214.397 6
Hi High (pH 8-9.5) 3.54 5.49 -37.2 3 2 1 31 213.389 6
Hi High (pH 8-9.5) 3.54 7.19 -29.02 3 2 1 30 213.389 6

Activity (Go SEA)

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