UCSF

ZINC37852222

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.08 1.75 -48.12 3 5 1 59 295.403 8
Hi High (pH 8-9.5) 1.08 0.39 -7.33 2 5 0 54 294.395 8
Lo Low (pH 4.5-6) 1.08 2.66 -40.39 3 5 1 55 295.403 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0228192A2 IBM Patent Data

Activity (Go SEA)

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