UCSF

ZINC67755821

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 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) 1.69 4.8 -95.35 4 4 2 46 323.525 3
Hi High (pH 8-9.5) 1.69 3.65 -39.99 3 4 1 41 322.517 3
Mid Mid (pH 6-8) 1.69 5.85 -81.48 4 4 2 42 323.525 3
Mid Mid (pH 6-8) 1.69 7 -188.01 5 4 3 47 324.533 3

Activity (Go SEA)

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