UCSF

ZINC45028270

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 15 Yes

Other Names:

MFCD13184346

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) 2.31 4.32 -32.84 0 4 -1 53 223.639 3
Mid Mid (pH 6-8) 2.31 4.63 -6.17 1 4 0 55 224.647 3
Lo Low (pH 4.5-6) 2.31 5.07 -33.36 2 4 1 56 225.655 3

Activity (Go SEA)

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

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