UCSF

ZINC55082482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 19 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) 1.77 4.57 -36.83 2 4 1 40 268.425 3
Hi High (pH 8-9.5) 1.77 3.5 -5.35 1 4 0 36 267.417 3
Mid Mid (pH 6-8) 1.77 6.37 -91.15 3 4 2 41 269.433 3

Activity (Go SEA)

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

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