UCSF

ZINC05834748

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 24 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) 2.25 -0.06 -16.14 3 9 0 141 326.268 3
Ref Reference (pH 7) 1.79 2.32 -18.81 3 9 0 140 326.268 3
Hi High (pH 8-9.5) 2.25 0.43 -44.77 2 9 -1 143 325.26 3

Activity (Go SEA)

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