UCSF

ZINC25502573

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 4.26 10.49 -10.74 2 4 0 58 309.344 4
Hi High (pH 8-9.5) 4.72 8.87 -49.04 1 4 -1 61 308.336 4

Activity (Go SEA)

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