UCSF

ZINC34621708

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 11 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) 1.92 3.52 -4.97 0 2 0 18 152.193 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4084058; US4100192; US4175202; US4181798; US4195178; WO2000059874A1 IBM Patent Data

Activity (Go SEA)

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