UCSF

ZINC16733770

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 31 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) 4.38 10.72 -51.47 0 6 -1 79 487.37 10
Mid Mid (pH 6-8) 4.82 8.49 -28.6 1 6 0 76 488.378 9
Mid Mid (pH 6-8) 3.79 9.46 -22.86 0 6 0 73 488.378 10

Activity (Go SEA)

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