UCSF

ZINC02572666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 33 Yes

Other Names:

MFCD00070147

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) -2.42 5.46 -126.26 6 13 -2 208 457.447 9
Mid Mid (pH 6-8) -2.42 5.5 -132.43 7 13 -1 210 458.455 9
Lo Low (pH 4.5-6) -2.42 3.52 -85.25 8 13 0 207 459.463 9

Activity (Go SEA)

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

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