UCSF

ZINC21212682

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 25 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) 3.36 10.06 -50.3 2 5 1 56 345.463 8
Hi High (pH 8-9.5) 3.36 7.83 -17.3 1 5 0 55 344.455 8

Activity (Go SEA)

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