UCSF

ZINC45658017

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.78 6.42 -40.78 2 3 1 29 277.432 8
Hi High (pH 8-9.5) 2.78 5.39 -3.08 1 3 0 24 276.424 8
Mid Mid (pH 6-8) 2.78 7.77 -38.46 2 3 1 26 277.432 8

Activity (Go SEA)

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