UCSF

ZINC59713535

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 24 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) 3.57 10.25 -115.01 1 5 -2 92 349.745 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0006713A1; US4246429 IBM Patent Data

Activity (Go SEA)

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