UCSF

ZINC20075198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 0.67 5.11 -36.42 2 4 1 34 223.344 5
Mid Mid (pH 6-8) 0.67 4.07 -40.65 2 4 1 38 223.344 5
Mid Mid (pH 6-8) 0.67 6.41 -117.39 3 4 2 39 224.352 5

Activity (Go SEA)

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