UCSF

ZINC31921098

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 5.61 11.55 -10.02 0 2 0 17 319.235 2
Lo Low (pH 4.5-6) 5.61 11.98 -28.76 1 2 1 19 320.243 2

Activity (Go SEA)

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