UCSF

ZINC34841043

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.81 9.71 -13.88 3 8 0 96 356.393 4
Lo Low (pH 4.5-6) 3.81 9.49 -43.33 4 8 1 98 357.401 4

Activity (Go SEA)

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