UCSF

ZINC00001909

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 22 No

CAS Number: 66104-22-1

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) 3.97 0.53 -34.92 2 2 1 20 315.506 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0026671A1; EP0185491A1; EP0314387A1; EP0314387B1; US4166182; US4180582; US4202979; US4246265; US4675322; US4683313; US4782152; US4797405; US4801712; US5114948; US5416090; WO2000044748A1 IBM Patent Data

Activity (Go SEA)

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