UCSF

ZINC40046788

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 29 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) 1.67 5.24 -64.79 1 8 -1 120 398.391 8
Lo Low (pH 4.5-6) 1.67 4.49 -19.3 2 8 0 117 399.399 8

Activity (Go SEA)

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