UCSF

ZINC53147247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 4.63 7.06 -62.27 3 3 1 46 347.649 4
Mid Mid (pH 6-8) 4.63 6.73 -7.83 2 3 0 44 346.641 4

Activity (Go SEA)

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