UCSF

ZINC08220289

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 32 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
Mid Mid (pH 6-8) -4.45 -5.56 -246.53 7 18 -3 305 520.201 9
Lo Low (pH 4.5-6) -4.45 -5.71 -208.77 8 18 -2 307 521.209 9

Activity (Go SEA)

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

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