UCSF

ZINC05731329

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 23 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) 3.71 7.67 -12.98 2 7 0 108 328.353 5
Hi High (pH 8-9.5) 3.71 7.48 -44.67 1 7 -1 106 327.345 5

Activity (Go SEA)

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