UCSF

ZINC12433627

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 27 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) 1.66 4.58 -65.73 1 8 1 91 410.545 9
Mid Mid (pH 6-8) 1.66 5.07 -128.49 2 8 2 93 411.553 9

Activity (Go SEA)

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