UCSF

ZINC05851505

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 11 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) -1.99 -9.96 -8.69 4 5 0 90 164.157 1

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AFR_ENSAD; AFR_RHIME ChEBI
PUBCHEM_PATENT_ID EP0504924A2; EP0536402A1; EP0636632A3; EP0929538A1; US4093797; US4217429; WO1995007082A1; WO1998013358A1; WO1999012929A2 IBM Patent Data

Activity (Go SEA)

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