UCSF

ZINC05248521

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 27 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) 5.30 9.22 -10.18 2 4 0 58 356.425 5
Hi High (pH 8-9.5) 5.30 10.04 -45.35 1 4 -1 61 355.417 5
Hi High (pH 8-9.5) 5.30 9.92 -56.81 1 4 -1 61 355.417 5

Activity (Go SEA)

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