UCSF

ZINC03346732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 26 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) 2.17 5.37 -18.48 1 6 0 70 410.37 6
Hi High (pH 8-9.5) 2.69 3.57 -55.66 0 6 -1 76 409.362 6

Activity (Go SEA)

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