UCSF

ZINC08696857

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 20 Yes

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) 3.77 -2.29 -10.96 1 4 0 59 290.388 4
Hi High (pH 8-9.5) 3.77 -1.72 -45.34 0 4 -1 61 289.38 4
Lo Low (pH 4.5-6) 3.77 -2.03 -32.86 2 4 1 60 291.396 4

Activity (Go SEA)

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