UCSF

ZINC42438285

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 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) 0.79 3.49 -122.26 6 6 2 92 289.383 3
Hi High (pH 8-9.5) 0.79 2.64 -14.27 4 6 0 90 287.367 3
Mid Mid (pH 6-8) 0.79 3.03 -51.22 5 6 1 91 288.375 3

Activity (Go SEA)

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