UCSF

ZINC09545576

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.07 -0.75 -16.51 0 4 0 46 474.438 7
Lo Low (pH 4.5-6) 5.07 -0.64 -50.3 1 4 1 47 475.446 7

Activity (Go SEA)

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