UCSF

ZINC43455888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 2.94 8.65 -42.77 1 4 0 48 270.417 9
Hi High (pH 8-9.5) 2.94 6.4 -42.77 0 4 -1 47 269.409 9
Hi High (pH 8-9.5) 2.94 8.35 -59.65 1 4 0 48 270.417 9
Lo Low (pH 4.5-6) 2.94 10.64 -107.53 2 4 1 49 271.425 9

Activity (Go SEA)

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