UCSF

ZINC20803514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 24 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) 3.03 7.53 -56.42 3 6 1 72 348.448 6
Mid Mid (pH 6-8) 3.03 5.29 -21.29 2 6 0 71 347.44 6

Activity (Go SEA)

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