UCSF

ZINC23146250

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 34 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) 1.34 8.64 -59.98 4 8 1 110 463.558 12
Hi High (pH 8-9.5) 1.34 6.52 -26.04 3 8 0 109 462.55 12

Activity (Go SEA)

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