UCSF

ZINC43442000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 0.81 5.06 -44.01 2 6 1 72 287.38 8
Mid Mid (pH 6-8) 0.81 3.85 -13.04 1 6 0 68 286.372 8

Activity (Go SEA)

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