UCSF

ZINC36614609

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 26 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) 2.35 4.28 -12.46 0 6 0 58 404.87 5
Mid Mid (pH 6-8) 2.35 6.51 -56.2 1 6 1 60 405.878 5

Activity (Go SEA)

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