UCSF

ZINC45284355

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 32 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) -0.37 -3.54 -16.22 5 12 0 189 448.336 3
Hi High (pH 8-9.5) -0.37 -2.52 -46.21 4 12 -1 192 447.328 3

Activity (Go SEA)

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