UCSF

ZINC36826717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.28 5.71 -128.58 4 4 2 50 264.417 3
Hi High (pH 8-9.5) 1.28 3.32 -4.51 2 4 0 47 262.401 3
Mid Mid (pH 6-8) 1.28 4.01 -48.41 3 4 1 49 263.409 3
Mid Mid (pH 6-8) 1.28 5.36 -31.24 3 4 1 48 263.409 3

Activity (Go SEA)

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