UCSF

ZINC37841493

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.39 4.42 -49.65 2 5 1 58 248.306 1
Mid Mid (pH 6-8) -0.39 2.27 -12.32 1 5 0 56 247.298 1

Activity (Go SEA)

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