UCSF

ZINC37052109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 0.32 4.11 -12.64 3 5 0 75 307.781 3
Lo Low (pH 4.5-6) 0.33 4.41 -50.54 4 5 1 77 308.789 3

Activity (Go SEA)

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