UCSF

ZINC59426418

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 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) 0.36 -2.25 -37.98 5 6 1 94 303.423 9
Hi High (pH 8-9.5) 0.36 -3.66 -10.76 4 6 0 93 302.415 9

Activity (Go SEA)

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