UCSF

ZINC38584314

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.20 14.45 -15.52 1 5 0 56 447.623 10
Mid Mid (pH 6-8) 6.20 14.75 -38.25 2 5 1 57 448.631 10

Activity (Go SEA)

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