UCSF

ZINC39696663

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 32 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) 0.45 3.48 -56.88 3 8 1 88 445.584 6
Mid Mid (pH 6-8) 0.45 5.9 -107.87 4 8 2 89 446.592 6

Activity (Go SEA)

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