UCSF

ZINC35349424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 28 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) 1.66 7.88 -52.13 2 6 1 63 386.516 10
Hi High (pH 8-9.5) 1.66 6.52 -11.71 1 6 0 58 385.508 10
Lo Low (pH 4.5-6) 1.66 8.78 -45.86 2 6 1 59 386.516 10
Lo Low (pH 4.5-6) 1.66 10.14 -133.55 3 6 2 64 387.524 10

Activity (Go SEA)

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