UCSF

ZINC47033059

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2010 22 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) 3.06 4.91 -9.23 0 5 0 50 391.331 5
Mid Mid (pH 6-8) 3.06 6.86 -46.32 1 5 1 51 392.339 5

Activity (Go SEA)

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