UCSF

ZINC62183553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 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) 3.59 9.06 -6.05 1 2 0 25 276.383 5
Mid Mid (pH 6-8) 3.59 10.12 -33.78 2 2 1 29 277.391 5

Activity (Go SEA)

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