UCSF

ZINC53148298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 4.94 9.14 -44.94 2 1 1 17 331.686 4
Mid Mid (pH 6-8) 4.94 7.94 -4.14 1 1 0 12 330.678 4

Activity (Go SEA)

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