UCSF

ZINC42162259

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) 1.59 8.73 -38.73 0 7 -1 113 274.256 4
Lo Low (pH 4.5-6) 1.59 6.74 -11.55 1 7 0 110 275.264 4

Activity (Go SEA)

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