UCSF

ZINC20071663

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) 1.72 4.16 -35.84 3 3 1 34 240.758 2
Mid Mid (pH 6-8) 1.72 4.1 -37.76 3 3 1 34 240.758 2
Mid Mid (pH 6-8) 1.72 1.7 -3.48 2 3 0 32 239.75 2

Activity (Go SEA)

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