UCSF

ZINC42901793

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) -0.13 -0.51 -109.68 6 4 2 73 240.347 7
Mid Mid (pH 6-8) -0.13 -1.51 -38.04 5 4 1 71 239.339 7
Mid Mid (pH 6-8) -0.13 -0.94 -27.38 5 4 1 71 239.339 7

Activity (Go SEA)

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