UCSF

ZINC36933164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 2.15 4.36 -3.05 1 3 0 24 260.381 4
Mid Mid (pH 6-8) 2.15 5.9 -36.27 2 3 1 29 261.389 4
Lo Low (pH 4.5-6) 2.15 6.8 -34.88 2 3 1 26 261.389 4
Lo Low (pH 4.5-6) 2.15 7.77 -118.67 3 3 2 30 262.397 4

Activity (Go SEA)

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