UCSF

ZINC44243204

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 0.14 -0.44 -13.18 3 5 0 85 324.225 4
Hi High (pH 8-9.5) 0.14 -0.55 -39.14 2 5 -1 87 323.217 4

Activity (Go SEA)

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