UCSF

ZINC27908097

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 30 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) 4.04 12 -50.31 2 5 1 54 411.566 9
Hi High (pH 8-9.5) 4.04 12.79 -72.6 1 5 0 57 410.558 9

Activity (Go SEA)

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