UCSF

ZINC42468039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.85 3.43 -33.4 3 3 1 40 213.345 4
Hi High (pH 8-9.5) 0.85 2.94 -1.63 2 3 0 38 212.337 4
Mid Mid (pH 6-8) 0.85 4.65 -25.87 3 3 1 40 213.345 4

Activity (Go SEA)

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