UCSF

ZINC35853120

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 4.60 11.69 -42.32 2 5 1 54 435.519 6
Hi High (pH 8-9.5) 4.60 12.53 -41.58 1 5 0 57 434.511 6

Activity (Go SEA)

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