UCSF

ZINC20070822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 1.23 5.19 -113.54 4 4 2 50 239.363 5
Hi High (pH 8-9.5) 1.23 2.77 -43.29 3 4 1 49 238.355 5
Hi High (pH 8-9.5) 1.23 3.91 -44.44 3 4 1 46 238.355 5
Hi High (pH 8-9.5) 1.23 1.5 -8.58 2 4 0 44 237.347 5

Activity (Go SEA)

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