UCSF

ZINC42517760

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.58 0.41 -51.43 3 5 1 58 227.332 6
Hi High (pH 8-9.5) -0.58 0.23 -7.41 2 5 0 56 226.324 6
Lo Low (pH 4.5-6) -0.58 2.52 -121.71 4 5 2 59 228.34 6

Activity (Go SEA)

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