UCSF

ZINC34438671

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 24 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) 4.88 12.72 -44.13 1 2 1 14 324.488 6
Hi High (pH 8-9.5) 4.88 10.72 -4.09 0 2 0 12 323.48 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0325963A1; EP0325963B1; EP0395734A1 IBM Patent Data

Activity (Go SEA)

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