UCSF

ZINC31703488

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 30 No

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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) 4.67 8.58 -47.93 2 7 1 80 434.582 10
Hi High (pH 8-9.5) 4.67 6.24 -17.54 1 7 0 79 433.574 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0507921A1; EP0786999A1; EP0792371A1; EP0852494A2; EP0885199A1; EP0941077A1; EP1021204A2; US4831025; US4882325; US5082653; US5446070; US5543417; US5646151; US5656286; US5668134; US5688955; US5719197; US5744458; US5763445; US5849761; US5945443; US5968253 IBM Patent Data

Activity (Go SEA)

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