UCSF

ZINC04523111

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 14 Yes

CAS Number: 103-31-1

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) 3.21 1.34 -4.5 0 1 0 12 181.238 2

Vendor Notes

Note Type Comments Provided By
MP 131 TCI

Activity (Go SEA)

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

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