UCSF

ZINC69849275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 20 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) 2.15 5.21 -38.04 3 4 1 55 274.388 7
Hi High (pH 8-9.5) 2.15 3.93 -7.27 2 4 0 50 273.38 7

Activity (Go SEA)

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