UCSF

ZINC43400025

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 No

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) -0.81 1.28 -8.39 4 6 0 95 250.302 5
Mid Mid (pH 6-8) -0.81 2.45 -30.85 5 6 1 96 251.31 5

Activity (Go SEA)

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