UCSF

ZINC02008584

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 15 No

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) 0.64 8.83 -100.87 0 6 -2 99 272.24 7
Lo Low (pH 4.5-6) 0.64 6.39 -56.27 1 6 -1 96 273.248 7

Activity (Go SEA)

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

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