UCSF

ZINC34955507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 5.74 13.71 -67.48 0 6 -1 86 471.558 4
Lo Low (pH 4.5-6) 5.74 12.82 -17.46 1 6 0 84 472.566 4

Activity (Go SEA)

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