UCSF

ZINC16892950

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.24 7.73 -28.79 2 8 0 110 487.632 8
Mid Mid (pH 6-8) 4.24 8.14 -24.24 2 8 0 110 487.632 8
Mid Mid (pH 6-8) 4.69 6.4 -63.31 1 8 -1 113 486.624 8

Activity (Go SEA)

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