UCSF

ZINC25499500

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 4.53 11.86 -11.46 2 5 0 67 335.407 5
Hi High (pH 8-9.5) 4.99 10.28 -52.34 1 5 -1 70 334.399 5

Activity (Go SEA)

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