UCSF

ZINC35386794

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 15 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) 0.27 3.66 -50.35 3 5 0 86 214.265 6
Hi High (pH 8-9.5) 0.27 2.31 -46.93 2 5 -1 81 213.257 6

Activity (Go SEA)

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