UCSF

ZINC56870883

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 32 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) -5.40 -18.1 -281.9 17 14 4 258 472.536 6
Hi High (pH 8-9.5) -5.40 -20.03 -12.28 13 14 0 248 468.504 6
Hi High (pH 8-9.5) -5.40 -19.12 -51.3 14 14 1 250 469.512 6
Hi High (pH 8-9.5) -5.40 -19.72 -47.82 14 14 1 250 469.512 6
Mid Mid (pH 6-8) -5.40 -18.43 -162.31 16 14 3 256 471.528 6
Mid Mid (pH 6-8) -5.40 -18.48 -190.93 16 14 3 256 471.528 6

Activity (Go SEA)

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

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