UCSF

ZINC44239565

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 No

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) -0.10 1.55 -48.71 3 5 1 60 230.332 5
Mid Mid (pH 6-8) -0.10 3.76 -115.26 4 5 2 62 231.34 5

Activity (Go SEA)

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