UCSF

ZINC35919593

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 33 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) 4.28 15.69 -14.29 0 6 0 53 455.553 3
Lo Low (pH 4.5-6) 4.28 15.91 -28.38 1 6 1 54 456.561 3
Lo Low (pH 4.5-6) 4.28 15.89 -33.5 1 6 1 54 456.561 3

Activity (Go SEA)

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