UCSF

ZINC37842512

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.74 1.07 -15.03 1 6 0 70 323.846 8
Mid Mid (pH 6-8) 0.74 3.21 -49.81 2 6 1 71 324.854 8

Activity (Go SEA)

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