UCSF

ZINC21954267

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 2.36 1.96 -9.99 3 4 0 72 282.287 5
Hi High (pH 8-9.5) 2.36 2.06 -37.51 2 4 -1 74 281.279 5

Activity (Go SEA)

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