UCSF

ZINC08615785

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2007 11 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) -0.32 5.34 -26.27 1 4 0 47 166.209 0
Hi High (pH 8-9.5) 0.41 4.98 -54.27 0 4 -1 44 165.201 0

Activity (Go SEA)

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