UCSF

ZINC43981805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 Yes

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) 4.09 7.33 -31.62 2 3 1 29 285.496 8
Hi High (pH 8-9.5) 4.09 6.12 -0.56 1 3 0 24 284.488 8
Mid Mid (pH 6-8) 4.09 7.79 -26.34 2 3 1 26 285.496 8

Activity (Go SEA)

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