UCSF

ZINC11889678

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 16 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) 0.41 1.84 -42.41 1 5 -1 86 282.75 5
Hi High (pH 8-9.5) 0.41 1.46 -106.8 0 5 -2 88 281.742 5

Activity (Go SEA)

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