UCSF

ZINC35836520

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 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) 4.29 16.92 -12.26 0 6 0 53 453.59 3
Lo Low (pH 4.5-6) 4.29 17.15 -32.7 1 6 1 54 454.598 3
Lo Low (pH 4.5-6) 4.29 17.14 -34.34 1 6 1 54 454.598 3

Activity (Go SEA)

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