UCSF

ZINC36466409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 12 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) 1.36 1.12 -5.82 2 2 0 40 166.22 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0145010A2; EP0511879A1; EP0511879B1; EP0513387A1; EP0934937A1; US4593035; US5459142; US5643932; US5677319; US6080764 IBM Patent Data

Activity (Go SEA)

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