UCSF

ZINC31962120

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 1.47 3.63 -49.71 4 5 1 73 277.392 4
Mid Mid (pH 6-8) 1.47 3.31 -13.59 3 5 0 71 276.384 4

Activity (Go SEA)

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