UCSF

ZINC02041286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 22 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) 0.48 1.99 -58.55 3 5 1 71 302.35 0
Hi High (pH 8-9.5) 0.48 0.18 -16.77 2 5 0 70 301.342 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0170090A1; US4089855; US4668685; US4722928; US4990617; US5071985 IBM Patent Data

Activity (Go SEA)

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