UCSF

ZINC58311616

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 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) 1.50 5.74 -45.28 3 6 1 76 336.456 6
Mid Mid (pH 6-8) 1.87 -1.18 -7.82 2 6 0 82 335.448 6
Mid Mid (pH 6-8) 1.50 3.51 -12.28 2 6 0 75 335.448 6

Activity (Go SEA)

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

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