UCSF

ZINC43968565

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 1.93 3.49 -38.97 2 4 1 38 265.377 6
Hi High (pH 8-9.5) 1.93 2.41 -4.41 1 4 0 34 264.369 6
Lo Low (pH 4.5-6) 1.93 5.55 -109.01 3 4 2 40 266.385 6

Activity (Go SEA)

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