UCSF

ZINC36634498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) -0.81 0.77 -53.49 2 9 -1 135 351.364 4
Mid Mid (pH 6-8) -0.81 0.46 -19.38 3 9 0 133 352.372 4

Activity (Go SEA)

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