UCSF

ZINC36612827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 28 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) 6.66 10.17 -47.01 1 3 -1 47 403.914 3
Mid Mid (pH 6-8) 5.29 13.12 -11.18 2 3 0 41 404.922 4

Activity (Go SEA)

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