UCSF

ZINC20129186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 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) 1.25 7.39 -105.57 3 2 2 21 218.41 8
Hi High (pH 8-9.5) 1.25 5.97 -34.15 2 2 1 16 217.402 8
Mid Mid (pH 6-8) 1.25 4.86 -41.95 2 2 1 20 217.402 8

Activity (Go SEA)

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