UCSF

ZINC26154509

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 18 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) 1.34 4.82 -22.72 2 5 0 71 266.301 4
Hi High (pH 8-9.5) 1.34 4.68 -46.43 1 5 -1 69 265.293 4

Activity (Go SEA)

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