UCSF

ZINC28286455

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 19 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) 1.27 0.88 -59.55 3 6 -1 101 283.329 4
Lo Low (pH 4.5-6) 1.27 -0.23 -17.34 4 6 0 99 284.337 4

Activity (Go SEA)

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