UCSF

ZINC37346614

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 13 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) 1.48 4.47 -12.39 0 3 0 36 180.203 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0009386A1; EP0328669A1; US3948937; US3951946; US3975373; US4017313; US4055409; US4182720; US4206225; US4264701; US4386216; US4483868; US4975463; US5190939; US5430047; WO1980002334A1; WO1997034885A1; WO1999064861A2 IBM Patent Data

Activity (Go SEA)

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