UCSF

ZINC62154056

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 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) 2.57 6.01 -12.67 2 6 0 84 374.444 3
Lo Low (pH 4.5-6) 2.57 6.47 -38.77 3 6 1 85 375.452 3

Activity (Go SEA)

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