UCSF

ZINC43061339

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 24 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) 3.46 6.77 -48.43 2 5 -1 80 315.356 3
Hi High (pH 8-9.5) 2.82 7.58 -44.87 2 5 -1 76 315.356 4
Mid Mid (pH 6-8) 2.82 8.59 -16.84 3 5 0 74 316.364 4

Activity (Go SEA)

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