UCSF

ZINC42206600

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 0.39 1.94 -37.82 3 5 1 55 246.375 11
Hi High (pH 8-9.5) 0.39 1.14 -42.79 3 5 1 58 246.375 11
Hi High (pH 8-9.5) 0.39 -0.21 -7.46 2 5 0 54 245.367 11
Lo Low (pH 4.5-6) 0.39 3.27 -114.95 4 5 2 59 247.383 11

Activity (Go SEA)

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