UCSF

ZINC53649592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 14 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) 1.75 7.64 -105.09 3 2 2 21 196.338 5
Hi High (pH 8-9.5) 1.75 7.3 -28.06 2 2 1 16 195.33 5
Mid Mid (pH 6-8) 1.75 5.37 -35.25 2 2 1 20 195.33 5

Activity (Go SEA)

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