UCSF

ZINC40444272

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 18 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) 1.91 7.08 -34.37 1 4 1 34 255.382 5
Mid Mid (pH 6-8) 1.91 6.86 -37.86 1 4 1 34 255.382 5
Lo Low (pH 4.5-6) 1.91 9.26 -101.16 2 4 2 35 256.39 5

Activity (Go SEA)

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