UCSF

ZINC37286546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.32 4.21 -56.85 2 4 0 60 202.298 9
Hi High (pH 8-9.5) 0.32 5.03 -60.92 2 4 0 57 202.298 9
Mid Mid (pH 6-8) 0.32 6.37 -116.07 3 4 1 61 203.306 9

Activity (Go SEA)

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