UCSF

ZINC24887012

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.21 5.94 -38.19 2 3 1 26 269.434 7
Lo Low (pH 4.5-6) 2.21 4.87 -38.31 2 3 1 29 269.434 7
Lo Low (pH 4.5-6) 2.21 7.23 -107.51 3 3 2 30 270.442 7

Activity (Go SEA)

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