UCSF

ZINC13239543

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 26 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) 3.72 7.62 -52.16 1 6 -1 110 365.39 5
Hi High (pH 8-9.5) 3.72 7.7 -121.12 0 6 -2 112 364.382 5

Activity (Go SEA)

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