UCSF

ZINC36754084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 1.38 3.83 -47.67 4 4 1 60 276.404 5
Lo Low (pH 4.5-6) 1.38 6.08 -111.25 5 4 2 61 277.412 5

Activity (Go SEA)

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