UCSF

ZINC56522616

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.08 6.16 -89.13 2 5 2 48 254.378 5
Hi High (pH 8-9.5) 1.08 3.95 -40.91 1 5 1 47 253.37 5

Activity (Go SEA)

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