UCSF

ZINC48436793

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 18 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) 4.43 8.31 -3.15 1 1 0 12 322.271 3
Lo Low (pH 4.5-6) 4.43 9.52 -45.78 2 1 1 17 323.279 3

Activity (Go SEA)

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