UCSF

ZINC37111723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.31 3.41 -5.75 1 3 0 32 216.35 4
Mid Mid (pH 6-8) 1.31 4.71 -38.44 2 3 1 37 217.358 4

Activity (Go SEA)

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