UCSF

ZINC34950117

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 4.31 11.38 -11.88 2 8 0 88 402.437 5
Mid Mid (pH 6-8) 4.31 11.82 -40.07 3 8 1 89 403.445 5

Activity (Go SEA)

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