UCSF

ZINC34431917

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 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) 2.55 5.73 -12.18 1 3 0 38 224.263 2
Lo Low (pH 4.5-6) 2.55 6.15 -25.12 2 3 1 39 225.271 2

Activity (Go SEA)

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