UCSF

ZINC04101105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 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) 3.72 6.51 -13.49 3 8 0 108 440.544 6
Hi High (pH 8-9.5) 3.91 3.86 -45.77 2 8 -1 114 439.536 6

Activity (Go SEA)

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