UCSF

ZINC48838961

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 20 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) 1.25 3.9 -39.99 4 5 1 77 282.408 7
Hi High (pH 8-9.5) 1.25 1.9 -12.11 3 5 0 75 281.4 7

Activity (Go SEA)

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