UCSF

ZINC31959819

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 1.84 4.46 -56.58 4 4 1 70 262.358 3
Hi High (pH 8-9.5) 1.66 2.51 -41.86 2 4 -1 74 260.342 3
Hi High (pH 8-9.5) 2.40 2.94 -7.97 3 4 0 71 261.35 2
Mid Mid (pH 6-8) 1.66 3.39 -44.87 3 4 0 76 261.35 3

Activity (Go SEA)

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