UCSF

ZINC14858876

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 30 Yes

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) 0.81 -3.88 -16.13 6 9 0 161 416.382 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0948819A2; US5757056 IBM Patent Data

Activity (Go SEA)

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

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