UCSF

ZINC05154556

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 21 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) 2.76 4.35 -19.96 2 6 0 80 288.351 5
Hi High (pH 8-9.5) 3.22 4.37 -44.08 1 6 -1 83 287.343 5

Activity (Go SEA)

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