UCSF

ZINC36876739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 2.40 7.39 -85.38 5 3 2 58 259.397 6
Hi High (pH 8-9.5) 2.40 6.99 -45.86 4 3 1 56 258.389 6

Activity (Go SEA)

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