UCSF

ZINC51104437

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 17 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) -1.04 -1.51 -16.04 3 6 0 85 243.307 5
Lo Low (pH 4.5-6) -1.04 0.76 -54.75 4 6 1 86 244.315 5

Activity (Go SEA)

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