UCSF

ZINC27937970

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 16 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) 0.29 3.9 -44.23 2 5 1 51 225.316 6
Hi High (pH 8-9.5) 0.29 1.58 -11.36 1 5 0 50 224.308 6

Activity (Go SEA)

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