UCSF

ZINC33798965

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 18 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) 1.45 6.01 -38.57 2 3 1 38 245.346 1
Hi High (pH 8-9.5) 1.45 4.12 -6.69 1 3 0 36 244.338 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1996015123A1 IBM Patent Data

Activity (Go SEA)

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