UCSF

ZINC03777707

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 17 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) 2.50 3.63 -9.85 2 4 0 58 230.267 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0649409A1; US4877881; US4924002; US5019395; US5208251; US5324840; US5455265 IBM Patent Data

Activity (Go SEA)

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