UCSF

ZINC09012766

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 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) 3.68 9.59 -9.71 1 6 0 72 395.484 8
Hi High (pH 8-9.5) 4.21 8.53 -45.1 0 6 -1 74 394.476 9

Activity (Go SEA)

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