UCSF

ZINC41534093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 3.00 10.13 -69.38 2 6 0 81 429.948 7
Lo Low (pH 4.5-6) 3.00 9.37 -46.99 3 6 1 78 430.956 7

Activity (Go SEA)

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