UCSF

ZINC20265444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 3.55 7.91 -137.33 4 2 2 32 331.273 3
Hi High (pH 8-9.5) 3.55 6.66 -56.19 3 2 1 31 330.265 3
Hi High (pH 8-9.5) 3.55 7.63 -35.81 3 2 1 30 330.265 3

Activity (Go SEA)

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