UCSF

ZINC43434799

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.98 3.26 -36.29 2 5 0 66 246.351 9
Hi High (pH 8-9.5) 0.99 2.76 -37.49 3 5 1 63 247.359 9
Hi High (pH 8-9.5) 0.99 0.23 -6.51 2 5 0 62 246.351 9
Mid Mid (pH 6-8) 0.99 3.85 -98.66 4 5 2 68 248.367 9

Activity (Go SEA)

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