UCSF

ZINC34930856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 3.71 8.46 -61.39 0 7 -1 88 438.5 11
Lo Low (pH 4.5-6) 3.71 7.7 -14.33 1 7 0 85 439.508 11

Activity (Go SEA)

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