UCSF

ZINC43164463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 23 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) 2.66 8.7 -48.08 2 6 1 83 314.365 4
Lo Low (pH 4.5-6) 2.66 9.16 -123.17 3 6 2 85 315.373 4

Activity (Go SEA)

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