UCSF

ZINC51421993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.23 8.04 -38.37 1 2 1 14 242.77 6
Hi High (pH 8-9.5) 3.23 5.95 -2.73 0 2 0 12 241.762 6

Activity (Go SEA)

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