UCSF

ZINC19832017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 3.52 8.13 -31.85 1 2 1 8 265.396 5
Hi High (pH 8-9.5) 3.52 6.28 -2.38 0 2 0 6 264.388 5
Mid Mid (pH 6-8) 3.52 8.66 -39.95 1 2 1 8 265.396 5

Activity (Go SEA)

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