UCSF

ZINC32014545

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 2.09 4.06 -39 3 3 1 46 224.324 7
Hi High (pH 8-9.5) 2.09 2.64 -4.34 2 3 0 41 223.316 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0228192A2 IBM Patent Data

Activity (Go SEA)

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