UCSF

ZINC35724755

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 31 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) 4.19 11.25 -24.39 2 7 0 87 500.422 4
Hi High (pH 8-9.5) 4.38 9.31 -59.04 1 7 -1 94 499.414 4

Activity (Go SEA)

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