UCSF

ZINC19788890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 30 Yes

Other Names:

MFCD01108063

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) 3.11 3.5 -10.92 2 6 0 65 414.546 10
Mid Mid (pH 6-8) 3.11 5.71 -45.02 3 6 1 67 415.554 10

Activity (Go SEA)

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