UCSF

ZINC41585025

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.11 9.53 -53 2 7 1 77 471.533 5
Hi High (pH 8-9.5) 4.11 7.84 -45.04 0 7 -1 78 469.517 5
Mid Mid (pH 6-8) 4.11 9.57 -50.1 2 7 1 77 471.533 5
Mid Mid (pH 6-8) 4.11 10.14 -34.22 1 7 0 79 470.525 5
Mid Mid (pH 6-8) 4.11 7.28 -12.09 1 7 0 75 470.525 5

Activity (Go SEA)

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