UCSF

ZINC43700022

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 11 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) -2.13 2.86 -46.44 3 4 0 71 160.217 5
Hi High (pH 8-9.5) -2.13 0.79 -43.56 2 4 -1 69 159.209 5
Mid Mid (pH 6-8) -2.13 1.24 -32.29 3 4 0 71 160.217 5
Mid Mid (pH 6-8) -2.13 3.16 -80.89 4 4 1 72 161.225 5

Activity (Go SEA)

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