UCSF

ZINC36721037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 15 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) -0.05 1 -42.69 3 4 1 57 231.341 2
Mid Mid (pH 6-8) -0.05 -0.15 -9.91 2 4 0 53 230.333 2

Activity (Go SEA)

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