UCSF

ZINC20113084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 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) 4.48 12.97 -44.71 3 6 1 82 449.571 5
Mid Mid (pH 6-8) 4.48 12.97 -87.27 3 6 1 82 449.571 5
Mid Mid (pH 6-8) 4.48 13.61 -55.82 2 6 0 85 448.563 5

Activity (Go SEA)

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