UCSF

ZINC43447844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 3.23 8.49 -30.79 1 3 1 31 216.345 9
Hi High (pH 8-9.5) 3.23 6.84 -4.08 0 3 0 30 215.337 9

Activity (Go SEA)

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