UCSF

ZINC31960676

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) -0.67 -0.82 -51.9 5 7 1 94 294.379 6
Mid Mid (pH 6-8) -0.67 -1.14 -15.8 4 7 0 93 293.371 6
Mid Mid (pH 6-8) -0.67 1.52 -97.35 6 7 2 95 295.387 6

Activity (Go SEA)

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