UCSF

ZINC40510568

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 26 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) 4.52 10.66 -9.64 0 4 0 34 350.462 4
Mid Mid (pH 6-8) 4.52 12.86 -50.9 1 4 1 36 351.47 4

Activity (Go SEA)

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