UCSF

ZINC40447607

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 21 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) 1.28 5.43 -98.76 4 5 2 53 295.475 6
Hi High (pH 8-9.5) 1.28 3.05 -43.55 3 5 1 52 294.467 6
Hi High (pH 8-9.5) 1.28 3.14 -4.88 2 5 0 47 293.459 6
Mid Mid (pH 6-8) 1.28 5.02 -33.58 3 5 1 48 294.467 6
Mid Mid (pH 6-8) 1.28 5.52 -117.45 4 5 2 53 295.475 6

Activity (Go SEA)

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

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