UCSF

ZINC05520101

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 24 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) 2.96 5.34 -15.3 1 6 0 73 341.392 5
Mid Mid (pH 6-8) 2.96 4.86 -43.9 0 6 -1 75 340.384 5
Lo Low (pH 4.5-6) 3.45 4.92 -50 2 6 1 78 342.4 4

Activity (Go SEA)

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