UCSF

ZINC06090926

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 12 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) -3.36 -1.38 -45.39 5 6 0 116 171.156 3
Hi High (pH 8-9.5) -3.36 -1.68 -46.5 4 6 -1 115 170.148 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0135675A1; EP0733644A1; EP0869135A1; EP0926159A2; EP0964873A1; EP0997151A3; US3932374; US4051237; US4326054; US4472304; US4500452; US4537880; US4568490; US4808703; US5371234; US5705483; US5977071; US5981488; US6006753; US6133235; USRE30413; USRE30451; W IBM Patent Data

Activity (Go SEA)

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