UCSF

ZINC59869511

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 38 No

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) 4.62 11.61 -11.96 2 8 0 89 540.039 10
Mid Mid (pH 6-8) 4.62 13.87 -53.14 3 8 1 90 541.047 10

Activity (Go SEA)

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