UCSF

ZINC34610671

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) -1.40 4.79 -47.69 3 5 0 88 236.271 5
Hi High (pH 8-9.5) -1.40 4.51 -43.27 2 5 -1 86 235.263 5

Activity (Go SEA)

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