UCSF

ZINC43478120

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 2.42 4.96 -13.39 2 6 0 76 301.737 4
Hi High (pH 8-9.5) 2.42 5.72 -49.01 1 6 -1 79 300.729 4

Activity (Go SEA)

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