UCSF

ZINC33594487

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 23 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) 1.70 7.44 -26.16 1 7 0 89 341.433 10
Hi High (pH 8-9.5) 1.52 6.37 -55.53 0 7 -1 95 340.425 10

Activity (Go SEA)

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