UCSF

ZINC34419743

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 22 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) 6.91 13.61 -3.61 0 2 0 26 308.506 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0597701B1; US4715984; US4751017 IBM Patent Data

Activity (Go SEA)

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