UCSF

ZINC44250536

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) -0.40 1.66 -45.19 5 4 1 80 245.302 4
Hi High (pH 8-9.5) -0.40 1.31 -10.11 4 4 0 78 244.294 4

Activity (Go SEA)

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