UCSF

ZINC27299531

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 12 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) 0.22 5.24 -27.73 1 3 1 25 169.248 1
Hi High (pH 8-9.5) 0.22 3.31 -8.53 0 3 0 24 168.24 1

Activity (Go SEA)

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