UCSF

ZINC39912006

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 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) 6.79 12.47 -14.61 2 7 0 88 505.659 11
Hi High (pH 8-9.5) 6.56 12.8 -57.71 0 7 -1 87 504.651 11
Hi High (pH 8-9.5) 6.56 12.81 -51.4 0 7 -1 87 504.651 11
Hi High (pH 8-9.5) 6.79 13.48 -43.79 1 7 -1 91 504.651 11

Activity (Go SEA)

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