UCSF

ZINC39050583

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 24 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) 3.79 2.27 -11.79 3 7 0 97 338.404 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1015454A1; US5994344; US6057457; WO1999012932A1 IBM Patent Data

Activity (Go SEA)

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