UCSF

ZINC29835399

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 19 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) 2.16 3.75 -14.74 2 5 0 75 274.301 2
Mid Mid (pH 6-8) 2.62 2.01 -55.79 1 5 -1 78 273.293 2

Activity (Go SEA)

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