UCSF

ZINC37802044

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.69 0.71 -49.11 2 6 1 80 309.433 5
Mid Mid (pH 6-8) -0.69 -0.39 -18.65 1 6 0 76 308.425 5

Activity (Go SEA)

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