UCSF

ZINC25452010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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 1.13 -53.05 2 6 -1 108 394.281 5
Hi High (pH 8-9.5) 2.72 1.81 -92.49 1 6 -2 106 393.273 5
Mid Mid (pH 6-8) 2.72 1.06 -21.3 3 6 0 106 395.289 5

Activity (Go SEA)

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