UCSF

ZINC35724733

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 27 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) 4.62 8.11 -23.43 2 7 0 87 452.378 6
Hi High (pH 8-9.5) 4.81 6.17 -57.81 1 7 -1 94 451.37 6

Activity (Go SEA)

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