UCSF

ZINC43441983

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) -0.66 5.74 -24.11 1 7 0 106 294.355 10
Mid Mid (pH 6-8) -0.66 6.93 -56.41 2 7 1 111 295.363 10

Activity (Go SEA)

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