UCSF

ZINC60210461

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 35 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) 5.34 13.98 -16.49 0 8 0 111 476.529 8
Mid Mid (pH 6-8) 5.52 13.17 -13.48 0 8 0 111 476.529 8

Activity (Go SEA)

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