UCSF

ZINC38557855

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 34 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) 5.44 13.99 -63.11 0 4 -1 74 467.67 1
Lo Low (pH 4.5-6) 5.44 12.04 -17.63 1 4 0 71 468.678 1
Lo Low (pH 4.5-6) 5.44 12.06 -17.8 1 4 0 71 468.678 1

Activity (Go SEA)

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