UCSF

ZINC25500007

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 5.56 14.1 -12.86 2 5 0 71 374.488 5
Mid Mid (pH 6-8) 5.56 14.01 -15 3 5 0 72 375.496 5

Activity (Go SEA)

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