UCSF

ZINC12376335

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 26 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) 3.55 -3.35 -11.47 3 5 0 77 365.458 5
Lo Low (pH 4.5-6) 3.55 -3.25 -38.86 4 5 1 78 366.466 5

Activity (Go SEA)

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