UCSF

ZINC42458262

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.31 2.7 -45.63 3 4 1 53 196.274 5
Hi High (pH 8-9.5) 0.31 2.3 -6.23 2 4 0 51 195.266 5
Mid Mid (pH 6-8) 0.31 2.85 -97.94 4 4 2 54 197.282 5

Activity (Go SEA)

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