UCSF

ZINC33450339

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 32 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) 3.09 8.41 -24.94 2 8 0 101 460.6 14
Hi High (pH 8-9.5) 2.90 7.34 -65.72 1 8 -1 107 459.592 14

Activity (Go SEA)

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