UCSF

ZINC20052105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 1.62 4.48 -38.54 3 4 1 46 244.403 10
Mid Mid (pH 6-8) 1.62 5.88 -105.27 4 4 2 50 245.411 10
Mid Mid (pH 6-8) 1.62 3.57 -43.43 3 4 1 49 244.403 10

Activity (Go SEA)

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