UCSF

ZINC45663683

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.45 5.57 -118.44 4 3 2 35 330.314 8
Hi High (pH 8-9.5) 2.45 3.11 -47.93 3 3 1 34 329.306 8

Activity (Go SEA)

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