UCSF

ZINC20093791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 3.27 9.14 -39.34 2 2 1 16 273.375 6
Mid Mid (pH 6-8) 3.27 8.16 -44.81 2 2 1 20 273.375 6
Mid Mid (pH 6-8) 3.27 6.58 -3.66 1 2 0 15 272.367 6
Lo Low (pH 4.5-6) 3.27 10.45 -131.64 3 2 2 21 274.383 6

Activity (Go SEA)

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