UCSF

ZINC37229187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) -0.01 2.39 -98.58 5 6 2 71 285.436 5
Mid Mid (pH 6-8) -0.01 2.28 -119.09 5 6 2 71 285.436 5
Mid Mid (pH 6-8) -0.01 0.01 -51.75 4 6 1 69 284.428 5

Activity (Go SEA)

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