UCSF

ZINC44421555

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 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) 3.85 10.54 -48.16 0 3 -1 49 287.31 7
Lo Low (pH 4.5-6) 3.85 8.52 -9.88 1 3 0 47 288.318 7

Activity (Go SEA)

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