UCSF

ZINC41513199

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 1.98 4.3 -11.54 1 6 0 76 352.39 3
Hi High (pH 8-9.5) 1.98 4.88 -46.03 0 6 -1 79 351.382 3
Lo Low (pH 4.5-6) 1.98 6.6 -41.05 2 6 1 77 353.398 3

Activity (Go SEA)

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