UCSF

ZINC11688504

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2008 23 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) 3.54 9.07 -50.22 1 4 -1 69 328.413 6
Hi High (pH 8-9.5) 3.54 9.6 -95.36 1 4 -2 69 327.405 6

Activity (Go SEA)

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