UCSF

ZINC36800324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 30 Yes

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) 3.75 10.37 -14.43 1 6 0 76 439.972 3
Mid Mid (pH 6-8) 3.75 12.55 -50.92 2 6 1 77 440.98 3

Activity (Go SEA)

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