UCSF

ZINC37079703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.61 3.74 -107.76 4 3 2 35 225.38 4
Hi High (pH 8-9.5) 0.61 1.28 -42.74 3 3 1 34 224.372 4
Hi High (pH 8-9.5) 0.61 3.72 -34.37 3 3 1 34 224.372 4
Mid Mid (pH 6-8) 0.61 3.09 -27.56 3 3 1 34 224.372 4
Mid Mid (pH 6-8) 0.61 3.04 -111.65 4 3 2 35 225.38 4
Lo Low (pH 4.5-6) 0.61 5.49 -90.63 4 3 2 35 225.38 4
Lo Low (pH 4.5-6) 0.61 5.47 -205.32 5 3 3 37 226.388 4

Activity (Go SEA)

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