UCSF

ZINC61325108

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 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) 2.40 9.88 -109.31 3 2 2 21 280.481 5
Mid Mid (pH 6-8) 2.40 8.82 -34.54 2 2 1 16 279.473 5
Mid Mid (pH 6-8) 2.40 7.66 -39.96 2 2 1 20 279.473 5

Activity (Go SEA)

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

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