UCSF

ZINC43907699

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.35 7.21 -29.85 2 3 1 20 294.507 3
Mid Mid (pH 6-8) 3.35 8.54 -87.81 3 3 2 24 295.515 3
Mid Mid (pH 6-8) 3.35 9.6 -96.26 3 3 2 21 295.515 3
Lo Low (pH 4.5-6) 3.35 10.49 -205.98 4 3 3 25 296.523 3

Activity (Go SEA)

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