UCSF

ZINC39326063

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 Yes

Other Names:

MFCD11110347

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) 1.55 8.36 -68.42 0 6 -1 84 273.268 4
Lo Low (pH 4.5-6) -1.73 6.4 -42.88 1 6 0 86 274.276 4

Activity (Go SEA)

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

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