UCSF

ZINC34616550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 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) 2.11 5.69 -33.85 3 3 1 34 244.721 1
Hi High (pH 8-9.5) 2.11 3.33 -3.11 2 3 0 32 243.713 1

Activity (Go SEA)

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