UCSF

ZINC60023072

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 28 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) 2.46 8.19 -14.14 2 7 0 99 382.416 8
Mid Mid (pH 6-8) 2.46 8.43 -50.89 3 7 1 101 383.424 8

Activity (Go SEA)

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

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