UCSF

ZINC36890518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 4.01 8.32 -52.55 1 3 -1 52 323.141 4
Lo Low (pH 4.5-6) 4.01 6.34 -9.77 2 3 0 49 324.149 4

Activity (Go SEA)

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