UCSF

ZINC04259039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 24 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) 2.66 1.13 -16.84 4 7 0 111 347.758 4
Hi High (pH 8-9.5) 2.66 1.92 -53.9 3 7 -1 114 346.75 4

Activity (Go SEA)

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