UCSF

ZINC56727892

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 20 Yes

CAS Number: 478-94-4

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) 1.29 2.65 -11.3 3 4 0 62 267.332 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0141387A1; US4970314 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.