UCSF

ZINC36191621

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.85 4.75 -94.93 4 3 2 35 289.876 4
Hi High (pH 8-9.5) 1.85 4.57 -33.86 3 3 1 34 288.868 4

Activity (Go SEA)

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