UCSF

ZINC19369885

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 22 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) 1.80 7.14 -38.72 1 4 1 30 298.41 5
Mid Mid (pH 6-8) 1.80 7.2 -37.4 1 4 1 30 298.41 5
Mid Mid (pH 6-8) 1.80 4.8 -6.3 0 4 0 29 297.402 5
Lo Low (pH 4.5-6) 1.80 7.42 -82.78 2 4 2 31 299.418 5

Activity (Go SEA)

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