UCSF

ZINC53148329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 Yes

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) 3.71 6.25 -3.78 3 2 0 38 246.741 3
Lo Low (pH 4.5-6) 3.71 6.11 -40.69 4 2 1 40 247.749 3

Activity (Go SEA)

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