UCSF

ZINC60023511

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 35 No

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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) 3.12 6.34 -15.15 3 9 0 123 509.613 9 ↓
Hi High (pH 8-9.5) 3.12 6.36 -53.9 2 9 -1 122 508.605 9 ↓
Lo Low (pH 4.5-6) 3.12 7.29 -57.72 4 9 1 125 510.621 9 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4203982 IBM Patent Data

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Rings

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

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