UCSF

ZINC65742918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.01 3.04 -39.76 2 8 -1 122 386.818 2
Mid Mid (pH 6-8) 2.39 -0.33 -120.44 1 8 -2 129 385.81 1
Lo Low (pH 4.5-6) 0.43 3.27 -20.41 2 8 0 116 387.826 2

Activity (Go SEA)

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