UCSF

ZINC43914463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.55 10.35 -39.18 2 2 1 16 285.455 7
Mid Mid (pH 6-8) 4.55 11.55 -126.72 3 2 2 21 286.463 7

Activity (Go SEA)

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