UCSF

ZINC09350001

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 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) 3.60 3.9 -10.02 2 5 0 71 315.398 4
Hi High (pH 8-9.5) 2.84 4.98 -52.88 0 5 -1 70 314.39 4
Hi High (pH 8-9.5) 2.84 4.97 -52.84 0 5 -1 70 314.39 4
Hi High (pH 8-9.5) 3.60 4.67 -51.85 1 5 -1 74 314.39 4
Mid Mid (pH 6-8) 3.60 4.65 -42.58 1 5 -1 74 314.39 4

Activity (Go SEA)

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

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