UCSF

ZINC36770368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.60 9.1 -6.99 0 3 0 25 290.794 3
Mid Mid (pH 6-8) 3.60 9.55 -26.59 1 3 1 27 291.802 3

Activity (Go SEA)

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