UCSF

ZINC32189931

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 11 No

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) 0.65 1.95 -10.16 1 3 0 41 149.149 0
Hi High (pH 8-9.5) 0.65 2.96 -61.54 0 3 -1 43 148.141 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0409617A3; EP0409617B1; US5120856; US5393750; US5506253 IBM Patent Data

Activity (Go SEA)

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