UCSF

ZINC28539354

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 26 No

CAS Number: 6754-58-1

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) 4.80 5.28 -17.11 3 5 0 87 354.402 6
Mid Mid (pH 6-8) 4.80 6.08 -50 2 5 -1 90 353.394 6

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.726 Bitter DB

Activity (Go SEA)

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