UCSF

ZINC32657174

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 26 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) 1.58 7.5 -13.96 1 5 0 62 355.413 5
Lo Low (pH 4.5-6) 1.58 7.85 -39.73 2 5 1 64 356.421 5

Activity (Go SEA)

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