UCSF

ZINC58512965

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 23 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) 2.58 7.59 -13.94 1 4 0 49 343.477 2
Mid Mid (pH 6-8) 2.58 9.72 -56.45 2 4 1 50 344.485 2

Activity (Go SEA)

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