UCSF

ZINC40134919

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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) 2.49 3.67 -4.81 1 3 0 36 270.376 5
Mid Mid (pH 6-8) 2.31 8.6 -35.9 2 3 1 34 271.384 5
Mid Mid (pH 6-8) 2.31 6.49 -10.96 1 3 0 32 270.376 5
Lo Low (pH 4.5-6) 2.49 5.83 -31.82 2 3 1 37 271.384 5

Activity (Go SEA)

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