UCSF

ZINC43082612

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 41 No

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) 3.61 16.22 -109.91 3 12 2 117 585.731 11
Mid Mid (pH 6-8) 3.61 13.86 -41.21 2 12 1 116 584.723 11

Activity (Go SEA)

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