UCSF

ZINC02908159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 28 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) 3.46 7.83 -16.49 0 9 0 111 409.379 8
Hi High (pH 8-9.5) 1.80 4.47 -61.94 5 8 1 132 423.474 6

Activity (Go SEA)

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