UCSF

ZINC08309465

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2006 23 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) 2.49 4.39 -44.81 3 6 1 72 330.355 9
Hi High (pH 8-9.5) 2.49 2.48 -19.05 2 6 0 71 329.347 9

Activity (Go SEA)

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