UCSF

ZINC48308306

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 27 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) 3.24 11.46 -122.35 3 5 2 42 369.557 6
Hi High (pH 8-9.5) 3.24 9.25 -47.51 2 5 1 41 368.549 6
Mid Mid (pH 6-8) 3.24 10.46 -39.69 2 5 1 38 368.549 6

Activity (Go SEA)

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