UCSF

ZINC19262357

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) -0.23 3.53 -46.78 3 2 1 37 178.255 2
Hi High (pH 8-9.5) -0.23 3.21 -4.6 2 2 0 35 177.247 2

Activity (Go SEA)

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