UCSF

ZINC36190272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 2.28 9.17 -52.74 1 6 1 71 278.332 4
Mid Mid (pH 6-8) 2.28 7.02 -8.34 0 6 0 69 277.324 4

Activity (Go SEA)

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