UCSF

ZINC22055357

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 11 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) -4.90 -3.12 -61.97 3 6 -1 125 200.217 4
Hi High (pH 8-9.5) -4.90 -3.44 -94.87 2 6 -2 123 199.209 4

Activity (Go SEA)

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