UCSF

ZINC43437461

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) 2.62 5.29 -116.34 5 2 2 44 202.386 6
Hi High (pH 8-9.5) 2.62 4.98 -38.56 4 2 1 40 201.378 6
Mid Mid (pH 6-8) 2.62 4.87 -27.76 4 2 1 43 201.378 6

Activity (Go SEA)

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