UCSF

ZINC04607210

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 25 Yes

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) 4.53 10.1 -16.62 1 5 0 62 367.559 10
Hi High (pH 8-9.5) 4.35 8.75 -48.61 0 5 -1 69 366.551 10

Activity (Go SEA)

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