UCSF

ZINC35466158

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 3.51 7.83 -56.27 2 7 -1 116 405.467 10
Hi High (pH 8-9.5) 3.51 8.62 -106.52 1 7 -2 119 404.459 10

Activity (Go SEA)

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