UCSF

ZINC35054347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 1.62 3.84 -45.38 3 4 1 49 277.388 5
Hi High (pH 8-9.5) 1.62 4.85 -35.82 3 4 1 46 277.388 5
Lo Low (pH 4.5-6) 1.62 6.04 -111.6 4 4 2 51 278.396 5

Activity (Go SEA)

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