UCSF

ZINC34873837

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 33 No

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) -2.70 2.49 -126.61 11 12 1 219 472.611 16
Hi High (pH 8-9.5) -2.70 2.11 -75.77 10 12 0 217 471.603 16
Mid Mid (pH 6-8) -2.83 2.66 -76.71 10 12 0 219 471.603 15

Activity (Go SEA)

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