UCSF

ZINC31961879

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 1.42 4.26 -51.59 4 5 1 73 251.354 7
Mid Mid (pH 6-8) 1.42 3.87 -15.57 3 5 0 71 250.346 7

Activity (Go SEA)

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