UCSF

ZINC33698071

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 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) 3.34 11.1 -57.16 0 7 -1 92 471.533 8
Lo Low (pH 4.5-6) 3.34 9.8 -21.04 1 7 0 89 472.541 8
Lo Low (pH 4.5-6) 3.34 10.24 -53.13 2 7 1 90 473.549 8

Activity (Go SEA)

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