UCSF

ZINC39039588

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 12 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) 3.17 6.58 -41.21 0 2 -1 40 204.032 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0609798A1; EP0625505A2; EP0625505A3; EP0625505B1; US4218464; US5330994; US5374606; US5886218 IBM Patent Data

Activity (Go SEA)

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