UCSF

ZINC26355903

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 26 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) 4.67 9.23 -13.61 1 5 0 68 382.514 3
Hi High (pH 8-9.5) 4.74 8.14 -45.39 0 5 -1 74 381.506 3

Activity (Go SEA)

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