UCSF

ZINC16601537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 4.89 11.42 -16.63 1 5 0 60 437.33 6
Lo Low (pH 4.5-6) 4.89 11.69 -46.57 2 5 1 61 438.338 6

Activity (Go SEA)

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