UCSF

ZINC42915712

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.00 4.4 -127.38 6 4 2 75 297.418 9
Hi High (pH 8-9.5) 2.00 3.03 -56.46 5 4 1 74 296.41 9
Hi High (pH 8-9.5) 2.00 4.07 -41.47 5 4 1 74 296.41 9

Activity (Go SEA)

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