UCSF

ZINC17040816

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 22 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) 4.33 9.48 -6.48 1 3 0 41 330.84 3
Ref Reference (pH 7) 4.33 9.88 -6.94 1 3 0 41 330.84 3
Mid Mid (pH 6-8) 4.33 9.33 -36.25 0 3 -1 44 329.832 4
Lo Low (pH 4.5-6) 4.33 9.75 -11.37 1 3 0 41 330.84 4

Activity (Go SEA)

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