UCSF

ZINC52164361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 21 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) 1.75 8 -36.85 1 4 1 28 308.471 6
Mid Mid (pH 6-8) 1.75 5.72 -7.91 0 4 0 27 307.463 6
Mid Mid (pH 6-8) 1.75 7.92 -37.28 1 4 1 28 308.471 6

Activity (Go SEA)

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