UCSF

ZINC43907847

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) 3.22 8.92 -83.63 3 3 2 24 295.515 4
Hi High (pH 8-9.5) 3.22 8.21 -31.5 2 3 1 20 294.507 4
Mid Mid (pH 6-8) 3.22 10.03 -102.83 3 3 2 21 295.515 4
Mid Mid (pH 6-8) 3.22 7.63 -33.69 2 3 1 20 294.507 4
Lo Low (pH 4.5-6) 3.22 10.82 -200.16 4 3 3 25 296.523 4

Activity (Go SEA)

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