UCSF

ZINC19899593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.89 7.32 -31.37 2 2 0 40 282.17 4
Hi High (pH 8-9.5) 3.89 5.83 -37.72 1 2 -1 35 281.162 4

Activity (Go SEA)

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