UCSF

ZINC52724555

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 26 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) 2.57 7.56 -48.66 3 5 1 63 376.477 6
Mid Mid (pH 6-8) 2.57 5.39 -15.79 2 5 0 61 375.469 6

Activity (Go SEA)

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