UCSF

ZINC53129873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 0.37 1.35 -47.33 2 6 1 72 274.348 4
Hi High (pH 8-9.5) 0.37 -0.02 -8.15 1 6 0 67 273.34 4
Lo Low (pH 4.5-6) 0.37 1.81 -84.39 3 6 2 73 275.356 4

Activity (Go SEA)

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