UCSF

ZINC21811516

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 0.38 3.24 -81.92 2 7 0 96 313.379 4
Hi High (pH 8-9.5) 0.38 2.94 -98.82 1 7 -1 98 312.371 4

Activity (Go SEA)

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