UCSF

ZINC34884340

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 24 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) 3.59 8.03 -29.34 5 6 1 98 345.81 6
Hi High (pH 8-9.5) 3.59 7.54 -11.39 4 6 0 96 344.802 6

Activity (Go SEA)

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