UCSF

ZINC45697627

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.03 6.85 -103.52 4 3 2 41 306.372 9
Hi High (pH 8-9.5) 2.03 5.48 -37.03 3 3 1 37 305.364 9

Activity (Go SEA)

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