UCSF

ZINC55059314

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 20 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) 2.15 7.69 -88.95 2 5 2 48 282.432 7
Hi High (pH 8-9.5) 2.15 5.47 -39.94 1 5 1 47 281.424 7

Activity (Go SEA)

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