UCSF

ZINC34019293

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 22 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) 3.25 4.81 -6.53 2 3 0 50 302.414 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0833641A1; EP0921797A1; EP0921821A1; EP0923376A1; EP0984954A1; US3940475; US4097586; US5504074; US5521168; US5643900; US5798369; US5958892; US5962445; US6051726; US6054598; US6136992; WO1995004535A1; WO1996040150A1; WO1997017091A1; WO1997041844A1; WO199 IBM Patent Data

Activity (Go SEA)

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