UCSF

ZINC34622644

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 22 No

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) 3.54 7.95 -9.63 0 4 0 40 317.41 6
Lo Low (pH 4.5-6) 3.54 8.33 -42.58 1 4 1 42 318.418 6

Activity (Go SEA)

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