UCSF

ZINC40384517

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 21 Yes

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) 2.00 -0.03 -49.78 2 6 -1 108 345.809 4
Lo Low (pH 4.5-6) 2.00 -0.09 -14.87 3 6 0 106 346.817 4

Activity (Go SEA)

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