UCSF

ZINC45664892

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 0.93 -2.78 -11.24 4 6 0 102 274.342 6
Hi High (pH 8-9.5) 0.93 -2.02 -42.45 3 6 -1 104 273.334 6

Activity (Go SEA)

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