UCSF

ZINC59154638

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 20 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) 4.59 6.63 -8.97 2 4 0 57 395.054 2
Hi High (pH 8-9.5) 5.05 4.59 -44.16 1 4 -1 60 394.046 2

Activity (Go SEA)

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