UCSF

ZINC25513654

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 2.15 7.43 -32.07 2 9 0 118 372.41 5
Hi High (pH 8-9.5) 2.21 6.52 -49.32 1 9 -1 124 371.402 5

Activity (Go SEA)

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