UCSF

ZINC36644132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 15 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) 0.97 5.06 -12.59 3 5 0 73 224.289 1
Mid Mid (pH 6-8) 0.97 4.86 -57.51 4 5 1 75 225.297 1

Activity (Go SEA)

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