UCSF

ZINC39972748

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 26 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) 2.48 5.5 -61.11 2 8 -1 115 376.462 6
Mid Mid (pH 6-8) 2.48 5.8 -18.91 3 8 0 113 377.47 6

Activity (Go SEA)

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