UCSF

ZINC43443822

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) 2.50 6.37 -35.42 2 3 1 43 200.302 7
Mid Mid (pH 6-8) 2.50 5.41 -3.34 1 3 0 38 199.294 7

Activity (Go SEA)

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