UCSF

ZINC39972699

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 35 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) 4.04 11.15 -18.24 1 9 0 97 498.605 12

Activity (Go SEA)

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