UCSF

ZINC44653841

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) 2.44 5.01 -31.76 2 2 1 26 200.327 6
Mid Mid (pH 6-8) 2.44 3.73 -2.31 1 2 0 21 199.319 6

Activity (Go SEA)

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