UCSF

ZINC43429660

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.85 7.47 -39.04 3 4 0 77 287.359 5
Hi High (pH 8-9.5) 1.85 8.21 -70.25 2 4 -1 80 286.351 5

Activity (Go SEA)

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