UCSF

ZINC34963128

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 0.63 3.44 -44.62 3 4 1 67 269.371 3
Hi High (pH 8-9.5) 0.63 3.05 -6.67 2 4 0 65 268.363 3

Activity (Go SEA)

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