UCSF

ZINC57995882

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.78 4.64 -47.7 1 7 -1 95 371.442 6
Mid Mid (pH 6-8) 1.78 5.13 -55.52 2 7 0 96 372.45 6
Lo Low (pH 4.5-6) 1.78 5.09 -40.51 3 7 1 94 373.458 6

Activity (Go SEA)

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

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