UCSF

ZINC12529925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 29 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) 3.34 6.33 -51.51 3 8 1 94 394.455 5
Mid Mid (pH 6-8) 3.34 3.83 -14.5 2 8 0 93 393.447 5

Activity (Go SEA)

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