UCSF

ZINC43461447

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) 2.20 8.49 -89.48 3 4 2 34 291.439 5
Hi High (pH 8-9.5) 2.20 5.97 -38.33 2 4 1 32 290.431 5

Activity (Go SEA)

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