UCSF

ZINC20468179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 18 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) 0.87 3.03 -46.37 2 5 1 46 253.37 4
Mid Mid (pH 6-8) 0.87 0.64 -8.17 1 5 0 45 252.362 4
Lo Low (pH 4.5-6) 0.87 3.14 -88.38 3 5 2 47 254.378 4

Activity (Go SEA)

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