UCSF

ZINC32221911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 2.05 6.19 -34.3 2 4 1 39 301.41 2
Hi High (pH 8-9.5) 2.05 4.35 -7.66 1 4 0 38 300.402 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4123613; US5059606 IBM Patent Data

Activity (Go SEA)

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