UCSF

ZINC34870323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 27 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) 2.85 7.02 -12.5 1 5 0 53 393.821 4
Lo Low (pH 4.5-6) 2.85 9.19 -50.92 2 5 1 54 394.829 4

Activity (Go SEA)

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