UCSF

ZINC06146876

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 26 No

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) 3.26 8.72 -20.43 1 6 0 67 350.422 5
Mid Mid (pH 6-8) 3.26 8.86 -80.75 2 6 0 68 351.43 5
Mid Mid (pH 6-8) 3.26 9.01 -69.44 2 6 0 68 351.43 5

Activity (Go SEA)

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