UCSF

ZINC08578048

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2007 28 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) 5.34 9.86 -12.05 1 5 0 56 370.408 4
Mid Mid (pH 6-8) 5.34 9.77 -11.5 1 5 0 56 370.408 4
Mid Mid (pH 6-8) 5.34 10.3 -32.64 2 5 1 58 371.416 4

Activity (Go SEA)

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