UCSF

ZINC49718570

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 25 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) 3.43 7.73 -10.77 0 4 0 41 358.507 5
Mid Mid (pH 6-8) 3.43 9.96 -48.01 1 4 1 42 359.515 5

Activity (Go SEA)

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