UCSF

ZINC38139442

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 31 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) -5.46 -19.39 -201.94 17 14 3 267 457.501 6
Hi High (pH 8-9.5) -5.45 -19.85 -118.51 16 14 2 266 456.493 6
Hi High (pH 8-9.5) -5.46 -20.14 -51.82 15 14 1 264 455.485 6
Mid Mid (pH 6-8) -5.46 -19.01 -335.01 18 14 4 269 458.509 6

Activity (Go SEA)

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

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