UCSF

ZINC43914882

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 4.52 10.92 -116.56 3 2 2 21 278.484 8
Mid Mid (pH 6-8) 4.52 9.98 -30.05 2 2 1 16 277.476 8
Mid Mid (pH 6-8) 4.52 9.08 -32.22 2 2 1 20 277.476 8

Activity (Go SEA)

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