UCSF

ZINC67665461

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 50 No

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) 5.51 15.37 -50.93 5 12 1 183 684.718 17
Hi High (pH 8-9.5) 5.51 14.96 -25.73 4 12 0 178 683.71 17

Activity (Go SEA)

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