UCSF

ZINC16558959

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 32 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) 2.61 8.3 -17.17 1 8 0 88 438.528 9
Mid Mid (pH 6-8) 3.07 7.84 -49.75 1 8 0 92 438.528 9

Activity (Go SEA)

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