UCSF

ZINC43428128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.96 4.63 -3.77 2 3 0 38 274.408 4
Mid Mid (pH 6-8) 0.96 7.18 -124.3 4 3 2 41 276.424 4
Mid Mid (pH 6-8) 0.96 6.87 -33.87 3 3 1 40 275.416 4

Activity (Go SEA)

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