UCSF

ZINC59594122

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 16 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) -0.01 -0.59 -88.77 6 4 2 60 232.416 8
Hi High (pH 8-9.5) -0.01 -0.61 -40.73 5 4 1 55 231.408 8
Mid Mid (pH 6-8) -0.01 1.13 -174.18 7 4 3 61 233.424 8
Lo Low (pH 4.5-6) -0.01 2.77 -316.86 8 4 4 65 234.432 8
Lo Low (pH 4.5-6) -0.01 2.65 -179.39 7 4 3 61 233.424 8

Activity (Go SEA)

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