UCSF

ZINC26720453

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 20 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) 2.10 8.08 -54.49 2 5 1 47 308.456 5
Mid Mid (pH 6-8) 2.10 5.6 -9.95 1 5 0 45 307.448 5
Lo Low (pH 4.5-6) 2.10 8.5 -90.44 3 5 2 48 309.464 5

Activity (Go SEA)

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