UCSF

ZINC37051967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) -1.09 4.02 -9.31 2 4 0 59 257.268 2
Mid Mid (pH 6-8) -1.09 4.32 -50.34 3 4 1 61 258.276 2
Lo Low (pH 4.5-6) -1.09 4.48 -39.42 3 4 1 60 258.276 2
Lo Low (pH 4.5-6) -1.09 4.78 -94.52 4 4 2 62 259.284 2

Activity (Go SEA)

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