UCSF

ZINC55585258

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.76 3.03 -35.45 1 7 -1 95 311.318 4
Hi High (pH 8-9.5) 1.58 3.01 -44.2 1 7 -1 95 311.318 5
Mid Mid (pH 6-8) 1.58 2.67 -12.99 2 7 0 93 312.326 5

Activity (Go SEA)

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

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