UCSF

ZINC11821427

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 24 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) 3.00 2.11 -53.15 1 4 1 43 320.416 4
Lo Low (pH 4.5-6) 3.00 2.23 -109.85 2 4 2 45 321.424 4

Activity (Go SEA)

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