UCSF

ZINC39227822

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 4.14 10.34 -41.81 4 5 1 70 436.62 2
Hi High (pH 8-9.5) 4.14 8.22 -11.41 3 5 0 68 435.612 2

Activity (Go SEA)

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