UCSF

ZINC48984741

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 20 No

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) 1.26 2.57 -45.75 0 5 -1 67 301.376 2
Lo Low (pH 4.5-6) 0.80 4.64 -11.37 1 5 0 64 302.384 2

Activity (Go SEA)

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