UCSF

ZINC20556004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 1.97 4.36 -47.74 1 5 1 55 304.823 4
Mid Mid (pH 6-8) 1.97 2.02 -8.52 0 5 0 54 303.815 4

Activity (Go SEA)

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