UCSF

ZINC39972751

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 24 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) 1.60 4.65 -17.01 3 8 0 113 349.416 6
Mid Mid (pH 6-8) 1.60 4.3 -57.79 2 8 -1 115 348.408 6

Activity (Go SEA)

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