UCSF

ZINC55553773

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.64 9.25 -42.77 2 6 1 61 387.529 8
Hi High (pH 8-9.5) 3.64 7.1 -11.85 1 6 0 59 386.521 8

Activity (Go SEA)

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