UCSF

ZINC06244969

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 26 No

Download: MOL2 SDF SMILES Flexibase

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) 1.57 6.45 -65.57 0 6 -1 83 351.382 6
Mid Mid (pH 6-8) 2.02 5.48 -31.46 1 6 0 80 352.39 5
Lo Low (pH 4.5-6) 2.02 6.47 -48.96 2 6 1 81 353.398 5
Lo Low (pH 4.5-6) 0.99 7.79 -53.23 1 6 1 78 353.398 6

Activity (Go SEA)

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