UCSF

ZINC39380659

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 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) 2.53 6.02 -49.54 3 6 1 72 380.534 9
Mid Mid (pH 6-8) 2.71 3.53 -44.91 2 6 0 78 379.526 9

Activity (Go SEA)

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