UCSF

ZINC36266761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 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) 1.79 -0.78 -57.72 5 6 1 107 320.46 4
Mid Mid (pH 6-8) 2.24 -3.05 -68.28 4 6 0 110 319.452 4

Activity (Go SEA)

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