UCSF

ZINC33785768

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 3.41 6.04 -23.08 2 6 0 72 369.446 6
Lo Low (pH 4.5-6) 3.41 6.37 -31.85 3 6 1 74 370.454 6

Activity (Go SEA)

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