UCSF

ZINC42739360

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 13 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) 1.93 4.91 -103.78 4 2 2 32 188.359 5
Hi High (pH 8-9.5) 1.93 3.51 -40.32 3 2 1 31 187.351 5
Hi High (pH 8-9.5) 1.93 4.54 -29.79 3 2 1 30 187.351 5

Activity (Go SEA)

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