UCSF

ZINC54979023

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.40 8.4 -38.28 2 5 1 52 355.458 7
Hi High (pH 8-9.5) 3.40 6.66 -10.57 1 5 0 51 354.45 7

Activity (Go SEA)

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