UCSF

ZINC26937776

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 23 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) 5.91 14.07 -48.18 0 2 -1 40 309.429 10
Lo Low (pH 4.5-6) 5.91 12.95 -9.8 1 2 0 37 310.437 10

Activity (Go SEA)

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