UCSF

ZINC39912146

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 6.15 11.59 -14.81 2 7 0 88 489.616 11
Hi High (pH 8-9.5) 5.93 12.11 -58.11 0 7 -1 87 488.608 11
Hi High (pH 8-9.5) 5.93 11.9 -51.1 0 7 -1 87 488.608 11
Hi High (pH 8-9.5) 6.15 12.52 -43.59 1 7 -1 91 488.608 11

Activity (Go SEA)

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