UCSF

ZINC02583213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 27 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) 0.51 10.85 -129.7 1 7 -2 119 367.357 7
Lo Low (pH 4.5-6) 0.51 8.86 -61.85 2 7 -1 116 368.365 7

Activity (Go SEA)

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

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