UCSF

ZINC31960153

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) -0.82 0.97 -57.64 3 8 -1 123 293.303 8
Mid Mid (pH 6-8) -0.82 1.44 -76.25 4 8 0 124 294.311 8
Lo Low (pH 4.5-6) -0.82 0.32 -51.27 5 8 1 122 295.319 8

Activity (Go SEA)

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