UCSF

ZINC08742303

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 30 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) 0.54 1.07 -12.3 2 8 0 124 417.45 4
Lo Low (pH 4.5-6) 0.54 1.17 -48.16 3 8 1 125 418.458 4
Lo Low (pH 4.5-6) 0.54 1.18 -38.53 3 8 1 125 418.458 4
Lo Low (pH 4.5-6) 0.54 1.28 -83.75 4 8 2 126 419.466 4

Activity (Go SEA)

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