UCSF

ZINC02568464

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 23 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) 3.39 3.81 -10.85 3 6 0 91 352.177 4
Hi High (pH 8-9.5) 3.39 4.59 -52.27 2 6 -1 94 351.169 4
Lo Low (pH 4.5-6) 3.39 4.16 -37.79 4 6 1 92 353.185 4

Activity (Go SEA)

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