UCSF

ZINC44352579

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 39 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) 3.49 6.44 -58.76 3 8 -1 144 545.693 4
Lo Low (pH 4.5-6) 3.49 4.72 -18.58 4 8 0 141 546.701 4

Activity (Go SEA)

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