UCSF

ZINC09373043

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 26 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) 3.44 8.38 -58.35 0 5 -1 70 462.263 6
Lo Low (pH 4.5-6) 3.44 7.62 -12.56 1 5 0 67 463.271 6

Activity (Go SEA)

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