UCSF

ZINC54898595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.36 8.12 -10.14 2 5 0 61 393.409 9
Hi High (pH 8-9.5) 3.55 7.33 -43.14 1 5 -1 68 392.401 9
Lo Low (pH 4.5-6) 3.36 8.56 -80.6 3 5 0 63 394.417 9

Activity (Go SEA)

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