UCSF

ZINC52164601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.18 11.19 -36 1 4 1 28 344.523 8
Mid Mid (pH 6-8) 3.18 8.92 -7.69 0 4 0 27 343.515 8
Mid Mid (pH 6-8) 3.18 11.13 -36.22 1 4 1 28 344.523 8

Activity (Go SEA)

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