UCSF

ZINC49737672

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.52 8.47 -38.83 2 4 1 37 332.512 6
Hi High (pH 8-9.5) 3.52 6.1 -8.92 1 4 0 36 331.504 6
Mid Mid (pH 6-8) 3.52 8.68 -42.18 2 4 1 37 332.512 6

Activity (Go SEA)

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