UCSF

ZINC53143978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.83 8.83 -48.54 3 1 1 28 278.778 3
Mid Mid (pH 6-8) 2.83 8.51 -3.94 2 1 0 26 277.77 3

Activity (Go SEA)

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