UCSF

ZINC42455958

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -0.23 1.45 -105.61 4 4 2 45 217.357 6
Mid Mid (pH 6-8) -0.23 -0.62 -43.39 3 4 1 43 216.349 6
Mid Mid (pH 6-8) -0.23 1.64 -88.16 4 4 2 45 217.357 6
Lo Low (pH 4.5-6) -0.23 3.7 -192.8 5 4 3 46 218.365 6

Activity (Go SEA)

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