UCSF

ZINC20588620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 12 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) 0.98 7.39 -13.54 1 3 0 34 183.28 3
Mid Mid (pH 6-8) 1.70 7.22 -47.09 0 3 -1 31 182.272 3

Activity (Go SEA)

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