UCSF

ZINC34384459

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 15 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) 0.12 3.43 -40.71 0 7 -1 92 207.169 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4956462; US4958019; US4966900; US4987129; US5438052 IBM Patent Data

Activity (Go SEA)

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