UCSF

ZINC42446430

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.70 4.1 -47.34 3 2 1 31 229.413 3
Hi High (pH 8-9.5) 1.70 3.65 -1.47 2 2 0 29 228.405 3
Mid Mid (pH 6-8) 1.70 5.77 -127.59 4 2 2 32 230.421 3
Mid Mid (pH 6-8) 1.70 5.42 -32.15 3 2 1 30 229.413 3

Activity (Go SEA)

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