UCSF

ZINC39886150

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 25 No

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) 4.28 6.71 -8.99 2 5 0 75 374.849 4
Mid Mid (pH 6-8) 4.74 5.16 -40.84 1 5 -1 78 373.841 4

Activity (Go SEA)

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