UCSF

ZINC17124027

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 35 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) 3.56 8.87 -63.39 0 8 -1 97 482.553 11
Lo Low (pH 4.5-6) 3.56 8.05 -19.07 1 8 0 95 483.561 11

Activity (Go SEA)

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