UCSF

ZINC31980209

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.64 5.35 -6.19 2 3 0 48 228.295 3
Lo Low (pH 4.5-6) 2.64 5.75 -35.15 3 3 1 49 229.303 3

Activity (Go SEA)

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