UCSF

ZINC36874730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 0.67 2.54 -1.46 2 3 0 38 198.31 1
Mid Mid (pH 6-8) 0.67 4.13 -116.83 4 3 2 41 200.326 1
Lo Low (pH 4.5-6) 0.67 3.9 -29.51 3 3 1 40 199.318 1

Activity (Go SEA)

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