UCSF

ZINC04557136

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 18 Yes

CAS Numbers: 1463-10-1 , 605-23-2

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) -1.39 -9.68 -13.15 4 8 0 124 258.23 2

Activity (Go SEA)

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