UCSF

ZINC42945952

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 3.22 8.44 -118.57 4 3 2 41 312.885 6
Hi High (pH 8-9.5) 3.22 6.06 -49.2 3 3 1 40 311.877 6
Hi High (pH 8-9.5) 3.22 8.11 -33.38 3 3 1 40 311.877 6

Activity (Go SEA)

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