UCSF

ZINC01601799

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 7 Yes

CAS Number: 1471-03-0

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) 1.82 3.51 -1.84 0 1 0 9 100.161 4

Vendor Notes

Note Type Comments Provided By
BP 92 TCI

Activity (Go SEA)

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

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