UCSF

ZINC44381083

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 16 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) 2.94 8.1 -115.72 3 2 2 21 226.408 5
Mid Mid (pH 6-8) 2.94 5.87 -36.8 2 2 1 20 225.4 5
Mid Mid (pH 6-8) 2.94 6.76 -32.75 2 2 1 16 225.4 5

Activity (Go SEA)

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