UCSF

ZINC53159391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 Yes

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) 3.81 9.86 -10.41 2 3 0 44 293.704 2
Mid Mid (pH 6-8) 3.81 10.33 -37.44 3 3 1 45 294.712 2

Activity (Go SEA)

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