UCSF

ZINC51444031

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 22 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) 1.54 3.98 -12.59 2 5 0 70 322.792 3
Hi High (pH 8-9.5) 1.54 4.76 -39.71 1 5 -1 72 321.784 3

Activity (Go SEA)

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