UCSF

ZINC25499938

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 6.09 14.17 -11.86 2 4 0 58 369.468 4
Hi High (pH 8-9.5) 6.54 12.52 -55.2 1 4 -1 61 368.46 4

Activity (Go SEA)

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