UCSF

ZINC33976697

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 19 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) 0.87 2.51 -10.04 3 5 0 89 280.349 4
Hi High (pH 8-9.5) 1.06 1.7 -44.92 2 5 -1 96 279.341 4

Activity (Go SEA)

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