UCSF

ZINC22693502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 30 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) 2.24 7.36 -11.94 1 7 0 79 419.566 8
Mid Mid (pH 6-8) 2.24 9.34 -47.27 2 7 1 80 420.574 8

Activity (Go SEA)

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