UCSF

ZINC47613743

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2010 27 No

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) 3.98 9.76 -45.16 3 5 1 63 380.493 8
Hi High (pH 8-9.5) 3.98 7.86 -17.65 2 5 0 61 379.485 8

Activity (Go SEA)

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