UCSF

ZINC03650862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 7 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) 0.84 1.29 -3.09 1 1 0 20 96.129 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4258184 IBM Patent Data

Activity (Go SEA)

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