UCSF

ZINC06546496

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 26 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) 4.45 5.54 -11.65 2 6 0 84 370.43 4
Hi High (pH 8-9.5) 4.90 3.5 -48.93 1 6 -1 87 369.422 4
Hi High (pH 8-9.5) 4.90 4.16 -47.71 1 6 -1 87 369.422 4

Activity (Go SEA)

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