UCSF

ZINC51106603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 20 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) 0.80 0.67 -14.45 2 6 0 74 298.726 3
Lo Low (pH 4.5-6) 0.80 2.94 -59.01 3 6 1 75 299.734 3

Activity (Go SEA)

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