UCSF

ZINC18141318

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 4.84 5.74 -11.38 2 4 0 65 330.796 2
Mid Mid (pH 6-8) 4.35 5.28 -45.62 1 4 -1 64 329.788 3
Lo Low (pH 4.5-6) 4.35 5.75 -15.41 2 4 0 62 330.796 3

Activity (Go SEA)

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