UCSF

ZINC26439862

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 30 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) 4.12 8.56 -20.63 1 7 0 71 423.542 7
Hi High (pH 8-9.5) 3.94 6.28 -49.38 0 7 -1 77 422.534 7
Mid Mid (pH 6-8) 3.94 8.51 -43.74 2 7 1 75 424.55 7

Activity (Go SEA)

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