UCSF

ZINC43260623

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 4.15 6.6 -42.12 3 2 1 31 346.358 5
Mid Mid (pH 6-8) 4.15 8.67 -34.37 3 2 1 30 346.358 5
Mid Mid (pH 6-8) 4.15 9.01 -118.25 4 2 2 32 347.366 5

Activity (Go SEA)

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