UCSF

ZINC35815618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 37 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) 5.63 11.96 -12.79 1 5 0 54 513.707 13
Mid Mid (pH 6-8) 5.63 14.47 -55.24 2 5 1 56 514.715 13

Activity (Go SEA)

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