UCSF

ZINC00603372

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 27 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) 3.59 -7.23 -13.54 6 7 0 129 422.29 3
Mid Mid (pH 6-8) 3.59 -7 -36.74 7 7 1 130 423.298 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4874763 IBM Patent Data

Activity (Go SEA)

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