UCSF

ZINC37175216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 No

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) 1.13 4.8 -44.17 2 2 1 16 219.399 3
Mid Mid (pH 6-8) 1.13 3.8 -40.62 2 2 1 20 219.399 3
Mid Mid (pH 6-8) 1.13 2.48 -4.79 1 2 0 15 218.391 3

Activity (Go SEA)

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

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