UCSF

ZINC42444786

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.55 6.08 -11.48 2 3 0 42 253.396 2
Lo Low (pH 4.5-6) 1.55 6.54 -42.74 3 3 1 43 254.404 2

Activity (Go SEA)

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