UCSF

ZINC20070521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 2.17 8.13 -93.31 3 4 2 30 295.471 10
Hi High (pH 8-9.5) 2.17 6.11 -35.75 2 4 1 29 294.463 10
Hi High (pH 8-9.5) 2.17 5.81 -37.62 2 4 1 29 294.463 10

Activity (Go SEA)

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