UCSF

ZINC20522062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) 2.16 7.07 -54.34 3 2 1 37 325.201 4
Hi High (pH 8-9.5) 2.16 6.74 -6.63 2 2 0 35 324.193 4

Activity (Go SEA)

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