UCSF

ZINC45694969

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.88 9 -65.83 2 5 0 74 286.416 10
Lo Low (pH 4.5-6) 1.88 6.47 -39.11 3 5 1 71 287.424 10

Activity (Go SEA)

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