UCSF

ZINC41108857

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 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) 4.86 8.63 -50.39 0 7 -1 93 475.908 7
Lo Low (pH 4.5-6) 4.40 11.3 -14.31 1 7 0 90 476.916 7

Activity (Go SEA)

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