UCSF

ZINC40849007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 22 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) 3.65 5.25 -13.28 2 6 0 85 301.298 5
Hi High (pH 8-9.5) 3.65 6.26 -61.17 1 6 -1 88 300.29 5

Activity (Go SEA)

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