UCSF

ZINC35138466

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 13 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) -0.18 0.55 -45.77 4 5 1 86 189.235 7
Hi High (pH 8-9.5) -0.18 -0.58 -13.8 3 5 0 81 188.227 7

Activity (Go SEA)

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