UCSF

ZINC20901041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) 2.18 2.31 -20.34 1 6 0 71 369.874 5
Mid Mid (pH 6-8) 2.18 3.68 -40.62 1 6 0 74 369.874 5
Mid Mid (pH 6-8) 2.18 1.34 -38.88 0 6 -1 73 368.866 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.