UCSF

ZINC03732375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 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) 3.00 0.01 -36.13 2 1 1 16 176.283 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000058285A1 IBM Patent Data

Activity (Go SEA)

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