UCSF

ZINC43399540

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.27 5.14 -33.11 4 6 1 79 264.353 3
Hi High (pH 8-9.5) -0.27 2.92 -7.71 3 6 0 78 263.345 3
Mid Mid (pH 6-8) -0.27 5.57 -86.06 5 6 2 80 265.361 3
Mid Mid (pH 6-8) -0.27 3.35 -30.74 4 6 1 79 264.353 3

Activity (Go SEA)

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