UCSF

ZINC00076636

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 1.03 1.1 -6.93 2 5 0 74 168.2 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0470050A1; EP0470050B1; US4587337; US5075443 IBM Patent Data

Activity (Go SEA)

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