UCSF

ZINC33423378

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 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) 5.61 16.04 -52.11 2 4 1 41 471.452 10
Hi High (pH 8-9.5) 5.61 14.2 -19.74 1 4 0 39 470.444 10

Activity (Go SEA)

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