UCSF

ZINC33869527

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 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) 2.73 8.18 -44.71 3 5 1 62 350.442 4
Hi High (pH 8-9.5) 2.73 6.52 -10.28 2 5 0 57 349.434 4

Activity (Go SEA)

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