UCSF

ZINC18126412

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.44 3.83 -21.6 2 5 0 75 297.339 3
Mid Mid (pH 6-8) 2.44 3.4 -44.21 1 5 -1 77 296.331 3
Lo Low (pH 4.5-6) 2.93 3.73 -41.8 3 5 1 80 298.347 2

Activity (Go SEA)

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