UCSF

ZINC20358221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 21 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) -0.64 -0.75 -18.12 3 7 0 110 311.363 5
Ref Reference (pH 7) -0.64 -0.74 -15.78 3 7 0 110 311.363 5
Lo Low (pH 4.5-6) -0.64 0.54 -67.49 4 7 1 114 312.371 5

Activity (Go SEA)

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