UCSF

ZINC51997092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.04 2.92 -9.02 0 5 0 42 282.384 3
Mid Mid (pH 6-8) 1.04 5.14 -42.9 1 5 1 43 283.392 3

Activity (Go SEA)

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