UCSF

ZINC42335996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 17 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) 0.69 5.65 -124.4 3 3 2 38 260.447 5
Mid Mid (pH 6-8) 0.69 4.45 -43.32 2 3 1 34 259.439 5
Mid Mid (pH 6-8) 0.69 3.43 -56.19 2 3 1 37 259.439 5

Activity (Go SEA)

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