UCSF

ZINC37865185

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 15 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) 1.61 6.19 -45.37 2 2 1 29 219.333 4
Mid Mid (pH 6-8) 1.61 4.84 -5.41 1 2 0 25 218.325 4
Lo Low (pH 4.5-6) 1.61 6.63 -105.1 3 2 2 31 220.341 4
Lo Low (pH 4.5-6) 1.61 5.28 -29.76 2 2 1 26 219.333 4

Activity (Go SEA)

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