UCSF

ZINC17168845

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 21 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) 3.45 8.31 -8.58 1 3 0 42 302.805 5
Lo Low (pH 4.5-6) 3.45 8.78 -42.74 2 3 1 43 303.813 5

Activity (Go SEA)

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