UCSF

ZINC28405215

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 25 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) 2.28 7.34 -45.79 2 5 1 50 346.426 5
Hi High (pH 8-9.5) 2.28 4.86 -10.77 1 5 0 49 345.418 5
Mid Mid (pH 6-8) 2.28 7.08 -50.78 2 5 1 50 346.426 5

Activity (Go SEA)

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