UCSF

ZINC32008758

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 1.64 2.84 -43.74 4 2 1 48 194.298 4
Hi High (pH 8-9.5) 1.64 2.56 -3.76 3 2 0 46 193.29 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1022276A1; US4644063 IBM Patent Data

Activity (Go SEA)

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