UCSF

ZINC04309240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 22 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) 3.05 4.99 -13.1 2 6 0 79 364.616 3
Hi High (pH 8-9.5) 2.86 3.32 -43.66 1 6 -1 85 363.608 3

Activity (Go SEA)

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