UCSF

ZINC01640890

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 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) 0.77 0.67 -4.15 1 2 0 29 118.176 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0523485A1; EP0523485B1; EP0643085B1; EP0702107A3; EP0768423A3; EP0791038A1; EP0791038B1; EP0799260A1; EP0799260B1; EP0822997B1; EP0845010A1; EP0845010B1; EP0882720A1; EP0883635B1; EP1034328A1; US5322915; US5530031; US5624466; US5837013; US5916999; US593 IBM Patent Data

Activity (Go SEA)

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