UCSF

ZINC39854119

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 21 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) 3.99 7.68 -12.09 1 4 0 55 300.745 2
Hi High (pH 8-9.5) 3.99 8.8 -61.25 0 4 -1 57 299.737 2
Hi High (pH 8-9.5) 3.99 7.98 -54.75 0 4 -1 57 299.737 2

Activity (Go SEA)

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