UCSF

ZINC36828707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) 0.62 0.44 -13.16 1 6 0 73 285.369 4
Hi High (pH 8-9.5) 1.07 -1.63 -45.49 0 6 -1 77 284.361 4
Mid Mid (pH 6-8) 0.62 2.63 -52.59 2 6 1 75 286.377 4

Activity (Go SEA)

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