UCSF

ZINC33727462

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 25 Yes

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) 4.15 10.21 -17.6 1 5 0 62 334.423 6
Lo Low (pH 4.5-6) 4.15 10.61 -26.27 2 5 1 64 335.431 6

Activity (Go SEA)

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