UCSF

ZINC52242628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.06 3.55 -13.66 1 6 0 66 307.394 5
Mid Mid (pH 6-8) -0.06 5.76 -51.12 2 6 1 67 308.402 5

Activity (Go SEA)

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