UCSF

ZINC25851392

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 37 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) 4.20 12.22 -20.36 1 8 0 91 493.567 8
Lo Low (pH 4.5-6) 4.20 12.65 -53.89 2 8 1 92 494.575 8

Activity (Go SEA)

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