UCSF

ZINC33154907

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 28 No

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) 3.18 6.55 -50.03 0 7 -1 108 374.376 4
Lo Low (pH 4.5-6) 2.73 8.32 -15.31 1 7 0 105 375.384 4

Activity (Go SEA)

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