UCSF

ZINC58425183

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 24 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) 3.75 10.57 -72.22 2 5 0 74 332.444 6
Lo Low (pH 4.5-6) 3.75 9.14 -27.21 3 5 0 71 333.452 6

Activity (Go SEA)

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