UCSF

ZINC49737697

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 25 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) 2.93 7.52 -39.28 2 5 1 46 348.511 9
Hi High (pH 8-9.5) 2.93 5.15 -8.71 1 5 0 45 347.503 9
Mid Mid (pH 6-8) 2.93 7.77 -42.31 2 5 1 46 348.511 9

Activity (Go SEA)

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