UCSF

ZINC00646555

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 3.51 -1.76 -10.82 1 5 0 67 410.446 7
Lo Low (pH 4.5-6) 3.51 -1.65 -42.7 2 5 1 69 411.454 7

Activity (Go SEA)

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

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