UCSF

ZINC37873621

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) -0.60 3.32 -45.28 3 5 1 70 217.289 7
Hi High (pH 8-9.5) -0.60 1.4 -38.81 3 5 1 63 217.289 7
Mid Mid (pH 6-8) -0.60 1.9 -31.23 2 5 0 66 216.281 7
Lo Low (pH 4.5-6) -0.60 2.83 -106.74 4 5 2 68 218.297 7

Activity (Go SEA)

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