UCSF

ZINC13262054

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 30 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) 3.13 3.8 -59.24 2 8 -1 132 449.461 7
Hi High (pH 8-9.5) 3.13 3.87 -96.73 1 8 -2 135 448.453 7
Hi High (pH 8-9.5) 3.13 3.87 -105.23 1 8 -2 135 448.453 7
Hi High (pH 8-9.5) 3.13 3.94 -163.35 0 8 -3 137 447.445 7

Activity (Go SEA)

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