UCSF

ZINC36933231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 2.03 5.57 -2.58 1 3 0 24 280.387 6
Mid Mid (pH 6-8) 2.03 6.26 -38.57 2 3 1 29 281.395 6
Lo Low (pH 4.5-6) 2.03 7.38 -36.77 2 3 1 26 281.395 6
Lo Low (pH 4.5-6) 2.03 8.14 -119.82 3 3 2 30 282.403 6

Activity (Go SEA)

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