UCSF

ZINC37979938

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 1.78 3.34 -39.16 4 3 1 60 225.287 5
Mid Mid (pH 6-8) 1.78 2.45 -7.82 3 3 0 55 224.279 5

Activity (Go SEA)

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