UCSF

ZINC05324806

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 27 Yes

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) 3.48 12.09 -17.07 2 6 0 72 365.412 4
Hi High (pH 8-9.5) 3.65 12.69 -15.51 2 6 0 75 365.412 4

Activity (Go SEA)

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