UCSF

ZINC20095783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 3.55 5.51 -7.04 2 3 0 41 349.203 3
Mid Mid (pH 6-8) 3.55 7.21 -36.16 3 3 1 46 350.211 3

Activity (Go SEA)

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