UCSF

ZINC45665626

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) 1.67 6.19 -110.96 4 3 2 35 285.501 8
Hi High (pH 8-9.5) 1.67 3.73 -45.8 3 3 1 34 284.493 8

Activity (Go SEA)

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