UCSF

ZINC05484025

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 25 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) 2.56 5.86 -56.85 1 5 -1 81 401.236 5
Mid Mid (pH 6-8) 3.00 -2.69 -21.61 2 5 0 77 402.244 4
Mid Mid (pH 6-8) 1.97 -3.42 -12.55 1 5 0 74 402.244 5

Activity (Go SEA)

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