UCSF

ZINC35721538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 1.32 7.53 -66.51 2 5 0 74 282.384 5
Lo Low (pH 4.5-6) 1.32 5.06 -38.79 3 5 1 71 283.392 5

Activity (Go SEA)

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