UCSF

ZINC39294436

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 11 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) -0.29 -0.6 -32.14 2 3 1 28 157.237 2
Mid Mid (pH 6-8) -0.29 -3.07 -3.17 1 3 0 27 156.229 2
Lo Low (pH 4.5-6) -0.29 -0.65 -30.97 2 3 1 28 157.237 2
Lo Low (pH 4.5-6) -0.29 1.82 -96.25 3 3 2 29 158.245 2

Activity (Go SEA)

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