UCSF

ZINC39911956

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) 7.08 12.42 -14.95 2 7 0 88 505.659 12
Hi High (pH 8-9.5) 6.85 12.94 -58.33 0 7 -1 87 504.651 12
Hi High (pH 8-9.5) 6.85 12.77 -51.3 0 7 -1 87 504.651 12
Hi High (pH 8-9.5) 7.08 13.33 -43.4 1 7 -1 91 504.651 12

Activity (Go SEA)

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