UCSF

ZINC19731383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 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) 0.41 1.58 -10.23 2 4 0 56 220.272 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0174242A2; EP1054998A1; US4282206; US4980377; US5236922; WO1999030690A1; WO1999036570A2 IBM Patent Data

Activity (Go SEA)

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