UCSF

ZINC43411647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.32 4 -36.09 3 4 1 49 258.43 9
Hi High (pH 8-9.5) 2.32 2.55 -7.77 2 4 0 44 257.422 9
Mid Mid (pH 6-8) 2.32 4.94 -31.16 3 4 1 46 258.43 9
Lo Low (pH 4.5-6) 2.32 6.04 -105.93 4 4 2 50 259.438 9

Activity (Go SEA)

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