UCSF

ZINC04936677

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 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) 1.78 5.86 -57.14 0 6 -1 83 344.318 6
Mid Mid (pH 6-8) 2.23 0.3 -32.65 1 6 0 79 345.326 5
Mid Mid (pH 6-8) 1.20 0.5 -23.69 0 6 0 76 345.326 6

Activity (Go SEA)

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