UCSF

ZINC31977337

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) -0.22 1.79 -92.54 4 5 2 61 209.297 2
Hi High (pH 8-9.5) -0.22 -1.06 -9.99 2 5 0 58 207.281 2
Mid Mid (pH 6-8) -0.22 -0.68 -49.83 3 5 1 60 208.289 2

Activity (Go SEA)

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