UCSF

ZINC43286076

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 18 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) 2.42 3.42 -44.62 3 3 1 40 334.303 3
Hi High (pH 8-9.5) 2.42 3.1 -2.47 2 3 0 38 333.295 3

Activity (Go SEA)

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