UCSF

ZINC36237999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 3.92 11.49 -82.31 3 5 2 48 380.536 6
Mid Mid (pH 6-8) 3.92 11.51 -50.4 2 5 1 46 379.528 6

Activity (Go SEA)

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