UCSF

ZINC37038354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.67 4.92 -49.38 3 4 1 51 276.404 3
Mid Mid (pH 6-8) 0.67 6.71 -123.09 4 4 2 52 277.412 3
Mid Mid (pH 6-8) 0.67 6.32 -38.39 3 4 1 51 276.404 3

Activity (Go SEA)

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