UCSF

ZINC28016273

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 23 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) 2.71 6.31 -11.55 1 4 0 44 318.461 4
Mid Mid (pH 6-8) 2.71 8.58 -50.39 2 4 1 45 319.469 4

Activity (Go SEA)

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