UCSF

ZINC42107368

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) 3.11 6.18 -10.8 1 5 0 51 280.397 4
Mid Mid (pH 6-8) 3.11 6.51 -26.06 2 5 1 53 281.405 4

Activity (Go SEA)

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