UCSF

ZINC43453177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 0.82 7.27 -118.91 3 4 2 41 257.422 7
Mid Mid (pH 6-8) 0.82 5.52 -40.51 2 4 1 40 256.414 7
Mid Mid (pH 6-8) 0.82 6.07 -38.77 2 4 1 37 256.414 7

Activity (Go SEA)

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