UCSF

ZINC49718761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 27 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) 2.92 8.09 -13.5 1 5 0 49 363.461 5
Mid Mid (pH 6-8) 2.92 10.31 -46.4 2 5 1 50 364.469 5

Activity (Go SEA)

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