UCSF

ZINC02012812

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 25 Yes

CAS Number: [26944-48-9]

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) 2.48 1.89 -57.01 2 6 -1 102 365.475 4
Lo Low (pH 4.5-6) 2.85 3.84 -12.55 3 6 0 95 366.483 3

Activity (Go SEA)

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