UCSF

ZINC35343268

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 17 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) 1.22 4.52 -42.92 4 4 1 55 231.323 4
Hi High (pH 8-9.5) 1.22 2.04 -6.85 3 4 0 54 230.315 4

Activity (Go SEA)

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