UCSF

ZINC88750753

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2013 21 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) 1.42 2.94 -48.69 2 7 -1 115 349.175 5
Mid Mid (pH 6-8) 1.42 3.45 -64.16 3 7 0 116 350.183 5
Mid Mid (pH 6-8) 1.42 2.97 -51.94 2 7 -1 115 349.175 5

Activity (Go SEA)

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

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