UCSF

ZINC45255952

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 26 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) -0.14 2.45 -14.51 2 10 0 137 482.227 9
Hi High (pH 8-9.5) 0.32 0.83 -55.18 1 10 -1 140 481.219 9

Activity (Go SEA)

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