UCSF

ZINC37265485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 0.76 1.01 -52.4 3 5 1 66 250.388 5
Mid Mid (pH 6-8) 0.76 -0.35 -7.64 2 5 0 61 249.38 5

Activity (Go SEA)

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