UCSF

ZINC31920080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 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) 1.49 4.65 -11.3 1 4 0 50 239.278 2
Lo Low (pH 4.5-6) 1.49 5.07 -31.15 2 4 1 52 240.286 2

Activity (Go SEA)

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