UCSF

ZINC02075451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 17 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) -0.86 3.98 -54.72 3 7 1 89 238.271 3
Mid Mid (pH 6-8) -0.86 4.45 -111.34 4 7 2 91 239.279 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0284752A1 IBM Patent Data

Activity (Go SEA)

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