UCSF

ZINC37079601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.92 6.59 -117.34 4 2 2 32 220.36 5
Mid Mid (pH 6-8) 1.92 6.22 -27.75 3 2 1 30 219.352 5
Mid Mid (pH 6-8) 1.92 4.69 -42.85 3 2 1 31 219.352 5

Activity (Go SEA)

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