UCSF

ZINC37238754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 32 No

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) 7.52 10.58 -42.19 3 3 1 54 479.512 3
Mid Mid (pH 6-8) 7.52 12.08 -13.02 2 3 0 57 478.504 3

Activity (Go SEA)

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