UCSF

ZINC49388553

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) 2.98 9.36 -38.5 1 3 1 25 436.111 2
Mid Mid (pH 6-8) 2.98 6.99 -5.42 0 3 0 24 435.103 2

Activity (Go SEA)

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

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