UCSF

ZINC43965914

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) 1.02 3.52 -34.08 2 5 1 48 285.408 4
Hi High (pH 8-9.5) 1.02 1.97 -4.24 1 5 0 43 284.4 4
Hi High (pH 8-9.5) 1.02 4.41 -28.77 2 5 1 44 285.408 4

Activity (Go SEA)

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