UCSF

ZINC36162618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 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) 4.96 10.46 -45.66 2 3 1 37 329.508 5
Hi High (pH 8-9.5) 4.96 10.16 -7.51 1 3 0 32 328.5 5

Activity (Go SEA)

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