UCSF

ZINC36829219

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) 0.41 0.19 -12.87 1 6 0 73 285.369 3
Hi High (pH 8-9.5) 0.87 -1.86 -46.03 0 6 -1 77 284.361 3
Mid Mid (pH 6-8) 0.41 2.35 -50.78 2 6 1 75 286.377 3

Activity (Go SEA)

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