UCSF

ZINC45324835

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 25 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) 3.85 8.94 -68.72 3 4 2 34 336.483 5
Hi High (pH 8-9.5) 3.85 6.66 -23.73 2 4 1 33 335.475 5
Mid Mid (pH 6-8) 3.85 8.93 -84.21 3 4 2 34 336.483 5

Activity (Go SEA)

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