UCSF

ZINC43387394

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.08 5.01 -52.14 3 4 1 67 294.325 3
Hi High (pH 8-9.5) 2.08 4.73 -3.97 2 4 0 65 293.317 3

Activity (Go SEA)

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