UCSF

ZINC43479136

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) 3.99 5.95 -54.99 3 3 1 46 310.776 5
Hi High (pH 8-9.5) 3.99 4.84 -7.74 2 3 0 41 309.768 5
Hi High (pH 8-9.5) 3.99 6.72 -66.13 2 3 0 49 309.768 5

Activity (Go SEA)

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