UCSF

ZINC20127098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 1.59 5.43 -35.28 2 3 1 29 254.423 5
Mid Mid (pH 6-8) 1.59 4.21 -34.49 2 3 1 33 254.423 5
Mid Mid (pH 6-8) 1.59 6.74 -110.19 3 3 2 34 255.431 5

Activity (Go SEA)

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