UCSF

ZINC43399863

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) -0.57 3.94 -7.3 3 7 0 93 282.344 8
Mid Mid (pH 6-8) -0.57 4.32 -30.32 4 7 1 94 283.352 8

Activity (Go SEA)

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