UCSF

ZINC33819070

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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) 4.46 12.95 -39.86 1 9 1 96 471.578 8
Mid Mid (pH 6-8) 4.46 11.85 -20.6 0 9 0 95 470.57 8
Lo Low (pH 4.5-6) 4.46 13.6 -86.88 2 9 2 97 472.586 8

Activity (Go SEA)

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