UCSF

ZINC48615358

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 26 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) 3.32 7.86 -45.52 1 5 1 35 359.421 6
Mid Mid (pH 6-8) 3.32 7.92 -41.95 1 5 1 35 359.421 6
Mid Mid (pH 6-8) 3.32 5.61 -10.74 0 5 0 34 358.413 6

Activity (Go SEA)

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