UCSF

ZINC19471561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.13 3.33 -105.88 4 3 2 35 231.409 3
Mid Mid (pH 6-8) 0.13 1.02 -47.82 3 3 1 34 230.401 3

Activity (Go SEA)

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