UCSF

ZINC41536248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 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) 0.78 7.46 -69.12 1 7 0 91 367.405 6
Lo Low (pH 4.5-6) 0.78 6.7 -49.8 2 7 1 88 368.413 6
Lo Low (pH 4.5-6) 0.78 7.91 -100.53 2 7 1 92 368.413 6
Lo Low (pH 4.5-6) 0.78 7.16 -101.98 3 7 2 89 369.421 6

Activity (Go SEA)

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