UCSF

ZINC37052072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.93 2.08 -14.72 3 5 0 75 247.298 3
Mid Mid (pH 6-8) -0.93 2.39 -45.26 4 5 1 77 248.306 3

Activity (Go SEA)

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