UCSF

ZINC98214873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2014 63 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 6.00 16.38 -47.69 3 14 1 155 885.479 10
Mid Mid (pH 6-8) 6.00 18.95 -131.09 4 14 2 157 886.487 10

Activity (Go SEA)

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

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