UCSF

ZINC27232830

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 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) 3.22 8.91 -49.55 2 4 1 47 315.437 5
Hi High (pH 8-9.5) 3.22 6.63 -14.88 1 4 0 45 314.429 5

Activity (Go SEA)

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