UCSF

ZINC39387157

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 13 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) -0.02 0.43 -100.67 6 4 2 77 183.255 3
Hi High (pH 8-9.5) -0.02 -0.43 -5.82 4 4 0 74 181.239 3
Mid Mid (pH 6-8) -0.02 -0.01 -49.34 5 4 1 76 182.247 3

Activity (Go SEA)

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