UCSF

ZINC14439153

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2008 13 No

CAS Number: 1128-08-1

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) 3.84 8.36 -6.79 0 1 0 17 180.291 5

Vendor Notes

Note Type Comments Provided By
BP 84 / 1 TCI

Activity (Go SEA)

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