UCSF

ZINC27221656

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 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) 4.78 7.86 -53.19 2 3 1 35 375.695 4
Hi High (pH 8-9.5) 4.78 6.56 -7.22 1 3 0 30 374.687 4

Activity (Go SEA)

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