UCSF

ZINC45695595

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.17 3.7 -48.66 3 4 1 55 288.795 9
Hi High (pH 8-9.5) 2.17 2.49 -7.4 2 4 0 51 287.787 9

Activity (Go SEA)

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