UCSF

ZINC13795702

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 35 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) 5.10 14.58 -46.47 2 5 1 56 468.621 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0804419A1; EP0940391A2; US5811553 IBM Patent Data

Activity (Go SEA)

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