UCSF

ZINC42491714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.19 6.2 -47.53 3 3 1 44 234.367 3
Hi High (pH 8-9.5) 2.19 5.8 -4.35 2 3 0 42 233.359 3
Mid Mid (pH 6-8) 2.19 6.67 -101.18 4 3 2 45 235.375 3

Activity (Go SEA)

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