UCSF

ZINC08507661

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2006 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) 3.62 8.51 -27.07 2 9 0 126 399.432 7
Hi High (pH 8-9.5) 3.62 8.35 -54.74 1 9 -1 124 398.424 7

Activity (Go SEA)

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