UCSF

ZINC38139170

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 22 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) 2.97 10.32 -11 0 5 0 52 308.366 1
Mid Mid (pH 6-8) 2.97 10.68 -7.67 1 5 0 54 309.374 1
Lo Low (pH 4.5-6) 2.97 10.84 -12.64 1 5 0 54 309.374 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.