UCSF

ZINC35344159

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 32 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) 6.22 12.24 -16.62 2 6 0 84 450.608 10
Hi High (pH 8-9.5) 6.41 10.6 -46.96 1 6 -1 90 449.6 10

Activity (Go SEA)

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