UCSF

ZINC44829167

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 1.52 5.1 -36.92 4 4 1 60 288.481 9
Hi High (pH 8-9.5) 1.70 3.84 -35.01 3 4 0 66 287.473 9

Activity (Go SEA)

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