UCSF

ZINC05835714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 15 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) 4.12 -1.21 -3.66 1 2 0 29 216.365 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0502060A1; US5252743; US5451683; US5482867; WO1991007087A1 IBM Patent Data

Activity (Go SEA)

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