UCSF

ZINC43666824

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 16 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) 1.31 6.29 -83.44 4 4 2 50 224.352 2
Hi High (pH 8-9.5) 1.31 3.74 -6.21 2 4 0 47 222.336 2
Mid Mid (pH 6-8) 1.31 6.16 -37.02 3 4 1 48 223.344 2

Activity (Go SEA)

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