UCSF

ZINC23358784

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 31 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) 3.64 8.79 -53.31 2 6 1 63 427.565 9
Mid Mid (pH 6-8) 3.64 8.36 -44.39 2 6 1 63 427.565 9
Mid Mid (pH 6-8) 3.64 6.53 -10.16 1 6 0 62 426.557 9

Activity (Go SEA)

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

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