UCSF

ZINC34682224

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 2.60 8.36 -42.21 3 6 1 70 369.489 6
Lo Low (pH 4.5-6) 2.60 8.71 -96.77 4 6 2 71 370.497 6

Activity (Go SEA)

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