UCSF

ZINC34861676

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 28 No

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) 4.17 10.46 -11.43 1 9 0 134 422.781 5
Hi High (pH 8-9.5) 4.24 8.59 -30.35 0 9 -1 140 421.773 5

Activity (Go SEA)

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