UCSF

ZINC16127887

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.85 4.56 -14.29 2 7 0 102 432.523 7
Hi High (pH 8-9.5) 3.85 4.63 -46.78 1 7 -1 104 431.515 7
Hi High (pH 8-9.5) 3.85 4.63 -48.23 1 7 -1 104 431.515 7
Hi High (pH 8-9.5) 3.85 4.7 -104.87 0 7 -2 106 430.507 7

Activity (Go SEA)

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