UCSF

ZINC28196370

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 23 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) 2.54 3.49 -15.58 3 6 0 94 335.429 7
Hi High (pH 8-9.5) 2.54 3.56 -45.15 2 6 -1 96 334.421 7

Activity (Go SEA)

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