UCSF

ZINC33752794

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 30 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) 4.01 6.98 -44.43 0 7 -1 93 472.315 6
Lo Low (pH 4.5-6) 3.56 9.64 -11.11 1 7 0 90 473.323 6

Activity (Go SEA)

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