UCSF

ZINC38000847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 0.26 1.06 -37.99 4 6 1 78 282.364 8
Hi High (pH 8-9.5) 0.26 -1.42 -9.26 3 6 0 77 281.356 8

Activity (Go SEA)

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