UCSF

ZINC05649380

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 22 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) 2.62 2.37 -14.06 3 6 0 95 360.167 2
Hi High (pH 8-9.5) 3.07 0.31 -53.03 2 6 -1 98 359.159 2
Hi High (pH 8-9.5) 3.07 0.63 -42.69 2 6 -1 98 359.159 2

Activity (Go SEA)

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