UCSF

ZINC65322563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 34 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) 3.71 8.33 -17.85 2 8 0 84 456.55 7
Mid Mid (pH 6-8) 3.71 10.59 -54.94 3 8 1 85 457.558 7
Lo Low (pH 4.5-6) 3.71 10.81 -83.65 4 8 2 86 458.566 7

Activity (Go SEA)

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

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