UCSF

ZINC43903731

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.72 10.21 -111.01 3 2 2 21 262.441 6
Mid Mid (pH 6-8) 3.72 9.6 -32.62 2 2 1 16 261.433 6
Mid Mid (pH 6-8) 3.72 8.36 -34.2 2 2 1 20 261.433 6

Activity (Go SEA)

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