UCSF

ZINC38468420

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 31 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) 2.29 1.6 -49.91 7 6 1 110 423.533 11
Hi High (pH 8-9.5) 2.29 0.18 -10.55 6 6 0 105 422.525 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1019075A1 IBM Patent Data

Activity (Go SEA)

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