UCSF

ZINC31943574

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 2.51 7.96 -16.11 0 6 0 69 337.379 6
Mid Mid (pH 6-8) 2.51 8.36 -38.35 1 6 1 71 338.387 6

Activity (Go SEA)

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