UCSF

ZINC37229335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.62 9.44 -38.55 2 2 1 16 309.474 5
Mid Mid (pH 6-8) 2.62 8.39 -50.94 2 2 1 20 309.474 5

Activity (Go SEA)

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