UCSF

ZINC33789424

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 30 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) 5.60 7.86 -9.83 1 6 0 71 463.39 6
Lo Low (pH 4.5-6) 5.60 8.08 -45.07 2 6 1 72 464.398 6

Activity (Go SEA)

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