UCSF

ZINC52831506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 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) 1.10 4.2 -89.08 4 4 2 56 220.32 2
Mid Mid (pH 6-8) 1.10 4.02 -46.68 3 4 1 54 219.312 2
Mid Mid (pH 6-8) 1.10 4.2 -87.26 4 4 2 56 220.32 2

Activity (Go SEA)

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

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