UCSF

ZINC01353241

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 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) 3.08 -0.63 -14.71 2 5 0 71 317.776 4
Lo Low (pH 4.5-6) 3.08 -0.98 -33.38 3 5 1 72 318.784 4

Activity (Go SEA)

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