UCSF

ZINC00001991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 19 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) 3.01 3.24 -36.85 1 3 1 30 262.373 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0608893A1; EP0647448A1; EP0737066A1; EP0785775A1; EP1003494A1; EP1011658A1; EP1021204A2; EP1023896A2; EP1059916A1; US4126684; US5149538; US5321012; US5446070; US5478577; US5556838; US5654281; US5656286; US5672360; US5719197; US5958452; US5965161; US5968 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.