UCSF

ZINC37132063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 2.67 2.54 -8.52 3 4 0 61 319.158 2
Lo Low (pH 4.5-6) 2.67 2.87 -41.43 4 4 1 66 320.166 2

Activity (Go SEA)

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