UCSF

ZINC34660263

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 16 No

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) 2.18 6.7 -54.86 2 5 1 72 225.268 5
Hi High (pH 8-9.5) 2.18 5.26 -10.17 1 5 0 67 224.26 5

Activity (Go SEA)

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