UCSF

ZINC20072020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 13 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) 1.90 4.9 -38.51 2 2 1 16 201.359 2
Lo Low (pH 4.5-6) 1.90 6.22 -126.92 3 2 2 21 202.367 2

Activity (Go SEA)

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