UCSF

ZINC35555928

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 16 Yes

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) 2.72 6.66 -39.38 2 3 1 34 222.356 4
Lo Low (pH 4.5-6) 2.72 6.82 -102.83 3 3 2 36 223.364 4

Activity (Go SEA)

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