UCSF

ZINC25465156

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 No

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) 5.35 10.68 -21.23 2 6 0 84 499.683 8
Hi High (pH 8-9.5) 5.80 9.58 -52.88 1 6 -1 87 498.675 8

Activity (Go SEA)

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