UCSF

ZINC39762989

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 34 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) 1.73 6.48 -24.69 3 11 0 144 505.626 11
Hi High (pH 8-9.5) 1.91 4.94 -54.45 2 11 -1 150 504.618 11

Activity (Go SEA)

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