UCSF

ZINC34577844

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.83 6.59 -8.77 1 5 0 72 401.406 8
Hi High (pH 8-9.5) 3.83 7.46 -44.82 0 5 -1 75 400.398 8

Activity (Go SEA)

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