UCSF

ZINC35016896

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 3.62 9.32 -34.41 1 5 -1 66 391.488 6
Mid Mid (pH 6-8) 4.37 10.41 -11.01 2 5 0 60 392.496 7

Activity (Go SEA)

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