UCSF

ZINC58000256

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 21 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) 2.64 5.38 -6.35 2 3 0 45 284.403 6
Lo Low (pH 4.5-6) 2.64 7.19 -107.5 4 3 2 51 286.419 6
Lo Low (pH 4.5-6) 2.64 6.75 -47.36 3 3 1 50 285.411 6
Lo Low (pH 4.5-6) 2.64 5.81 -30.29 3 3 1 46 285.411 6

Activity (Go SEA)

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

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