UCSF

ZINC59211300

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 39 No

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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) 2.48 12.18 -58.19 3 10 1 121 564.717 11 ↓
Mid Mid (pH 6-8) 2.48 12.5 -107.92 4 10 2 122 565.725 11 ↓
Mid Mid (pH 6-8) 2.48 9.69 -17.77 2 10 0 119 563.709 11 ↓

Activity (Go SEA)

Rings

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

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