UCSF

ZINC40165355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 38 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) 4.14 14.9 -61.44 4 8 0 133 553.677 25
Hi High (pH 8-9.5) 4.14 14.52 -50.33 3 8 -1 131 552.669 25

Activity (Go SEA)

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