UCSF

ZINC36706030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 38 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) 6.04 12.58 -10.49 0 6 0 59 526.637 7
Mid Mid (pH 6-8) 6.04 14.85 -46.25 1 6 1 60 527.645 7

Activity (Go SEA)

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