UCSF

ZINC03073906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 21 Yes

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) 2.89 -3.88 -13.33 1 5 0 71 319.411 4
Hi High (pH 8-9.5) 2.89 -3.31 -45.54 0 5 -1 74 318.403 4

Activity (Go SEA)

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