UCSF

ZINC34859919

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 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) -0.59 0.23 -23.98 1 10 0 114 478.571 7
Mid Mid (pH 6-8) -0.59 2.49 -56.98 2 10 1 115 479.579 7
Mid Mid (pH 6-8) -0.66 4.16 -50.28 2 10 1 111 479.579 7
Lo Low (pH 4.5-6) -0.59 3.87 -124.23 3 10 2 116 480.587 7

Activity (Go SEA)

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