UCSF

ZINC33756086

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 2.62 6.5 -9.2 1 5 0 47 353.466 7
Lo Low (pH 4.5-6) 2.62 8.79 -42.97 2 5 1 48 354.474 7

Activity (Go SEA)

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