UCSF

ZINC20745399

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 19 No

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) 1.68 2.21 -10.56 2 5 0 71 275.333 2
Ref Reference (pH 7) 1.50 4.69 -10.33 2 5 0 67 275.333 2
Hi High (pH 8-9.5) 1.58 2.72 -43.74 0 5 -1 69 274.325 2
Mid Mid (pH 6-8) 1.50 4.65 -8.22 2 5 0 67 275.333 2
Mid Mid (pH 6-8) 1.68 2.22 -7.86 2 5 0 71 275.333 2

Activity (Go SEA)

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