UCSF

ZINC42864580

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 0.08 2.17 -101.36 4 4 2 54 231.365 7
Hi High (pH 8-9.5) 0.08 -1.65 -6.1 2 4 0 48 229.349 7
Mid Mid (pH 6-8) 0.08 -0.22 -40.61 3 4 1 53 230.357 7
Mid Mid (pH 6-8) 0.08 2.71 -40.92 3 4 1 57 230.357 7

Activity (Go SEA)

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