UCSF

ZINC00419715

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 2.55 0.54 -10.95 1 4 0 65 330.185 4
Lo Low (pH 4.5-6) 2.55 0.66 -41.15 2 4 1 67 331.193 4

Activity (Go SEA)

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