UCSF

ZINC43918855

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 28 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) 3.21 7.48 -21.67 2 7 0 87 378.432 5
Hi High (pH 8-9.5) 3.67 5.48 -61.8 1 7 -1 90 377.424 5

Activity (Go SEA)

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