UCSF

ZINC44608902

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.08 3.11 -107.64 4 4 2 48 270.446 4
Hi High (pH 8-9.5) -0.08 2.34 -37.98 3 4 1 47 269.438 4

Activity (Go SEA)

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