UCSF

ZINC12219858

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 24 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) 2.27 -0.8 -11.34 1 5 0 60 322.412 5
Lo Low (pH 4.5-6) 2.27 -0.69 -38.67 2 5 1 61 323.42 5
Lo Low (pH 4.5-6) 2.27 -0.69 -43.03 2 5 1 61 323.42 5
Lo Low (pH 4.5-6) 2.27 -0.58 -83.53 3 5 2 62 324.428 5

Activity (Go SEA)

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