UCSF

ZINC34027564

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 14 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) 1.18 4.85 -52.34 3 3 0 68 199.294 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1032555A1; WO1999021824A1 IBM Patent Data

Activity (Go SEA)

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