UCSF

ZINC34824626

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 16 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) 1.06 6.41 -37.92 2 4 1 38 223.344 5
Hi High (pH 8-9.5) 1.06 4.96 -4.31 1 4 0 33 222.336 5

Activity (Go SEA)

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