UCSF

ZINC20180797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 0.61 3.52 -13.97 0 5 0 57 259.309 3
Lo Low (pH 4.5-6) 0.61 5.89 -59.6 1 5 1 58 260.317 3

Activity (Go SEA)

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