UCSF

ZINC20093141

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.11 4.57 -44.46 3 4 1 46 262.377 4
Mid Mid (pH 6-8) 1.11 3.45 -54.57 3 4 1 49 262.377 4
Lo Low (pH 4.5-6) 1.11 5.87 -122.82 4 4 2 50 263.385 4

Activity (Go SEA)

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