UCSF

ZINC19702356

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 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) 1.07 3.61 -34.14 2 4 1 39 236.339 3
Hi High (pH 8-9.5) 1.07 1.15 -5.26 1 4 0 37 235.331 3
Mid Mid (pH 6-8) 1.07 2.97 -92.53 3 4 2 43 237.347 3
Mid Mid (pH 6-8) 1.07 2.57 -41.89 2 4 1 42 236.339 3

Activity (Go SEA)

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