UCSF

ZINC01872014

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 30 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) 3.40 0.07 -7.78 2 8 0 99 428.57 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0389421A1; EP0581737B1; EP0703220A1; EP0737660A1; EP0794933B1; EP0818526A1; EP0828195A3; EP0845448A1; EP0924247A1; EP0927725A2; EP0959059A2; EP0963971A1; US5015682; US5254760; US5545782; US5545786; US5574163; US5616774; US5872252; US5877344; US5880230 IBM Patent Data

Activity (Go SEA)

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