UCSF

ZINC51486093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 18 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) 1.40 6.62 -41.63 2 4 1 42 250.366 6
Mid Mid (pH 6-8) 1.40 7.11 -91.05 3 4 2 43 251.374 6

Activity (Go SEA)

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