UCSF

ZINC01573023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 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) -0.17 3.46 -10.24 0 3 0 36 152.149 0

Vendor Notes

Note Type Comments Provided By
MP 93 TCI
PUBCHEM_PATENT_ID US4143054; US4220594; US4254044 IBM Patent Data

Activity (Go SEA)

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