UCSF

ZINC32007273

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 1.44 3.55 -38.18 3 2 1 37 180.271 5
Hi High (pH 8-9.5) 1.44 2.05 -4.61 2 2 0 32 179.263 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0403952A2; US5093526 IBM Patent Data

Activity (Go SEA)

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