UCSF

ZINC42172034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 14 No

Download: MOL2 SDF SMILES Flexibase

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) 1.43 6.74 -110.5 3 2 2 21 216.394 4
Hi High (pH 8-9.5) 1.43 4.45 -38.57 2 2 1 20 215.386 4
Hi High (pH 8-9.5) 1.43 5.57 -35.78 2 2 1 16 215.386 4

Activity (Go SEA)

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