UCSF

ZINC09348347

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 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) 2.39 6.21 -44.14 1 6 -1 73 363.85 3
Lo Low (pH 4.5-6) 1.93 8.05 -8.78 2 6 0 70 364.858 3

Activity (Go SEA)

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