UCSF

ZINC19486492

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 1.28 3.18 -16.27 3 4 0 60 239.344 7
Mid Mid (pH 6-8) 1.28 3.65 -50.38 4 4 1 61 240.352 7

Activity (Go SEA)

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