UCSF

ZINC36657562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 25 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) 2.32 5.56 -49.56 3 5 1 53 344.41 4
Mid Mid (pH 6-8) 2.32 7.39 -129.01 4 5 2 54 345.418 4

Activity (Go SEA)

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