UCSF

ZINC60697255

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 15 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) 3.16 5.55 -38.76 2 2 1 26 249.161 5
Hi High (pH 8-9.5) 3.16 3.98 -3.3 1 2 0 21 248.153 5

Activity (Go SEA)

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