UCSF

ZINC16572524

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 30 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) 3.58 9 -31.58 2 8 0 96 423.498 5
Hi High (pH 8-9.5) 3.76 7.94 -64.66 1 8 -1 103 422.49 5

Activity (Go SEA)

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