UCSF

ZINC14193497

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 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) 2.68 7.49 -33.85 1 2 1 14 206.309 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0117345A2; EP0132914A2; US4032527; US4094877; US4096176; US4209618; US4220357; US4540699; US4567176 IBM Patent Data

Activity (Go SEA)

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