UCSF

ZINC24193132

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 34 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) -2.36 6.9 -31.81 3 10 1 115 469.566 9
Mid Mid (pH 6-8) -2.36 9.25 -84.76 4 10 2 116 470.574 9

Activity (Go SEA)

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