UCSF

ZINC58652530

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.54 4.71 -15.79 3 8 0 120 314.301 6
Mid Mid (pH 6-8) 2.54 5.7 -49.47 2 8 -1 122 313.293 6

Activity (Go SEA)

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