UCSF

ZINC33730031

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 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) 6.36 11.86 -18.97 2 6 0 80 440.499 8
Hi High (pH 8-9.5) 6.36 12.86 -67.08 1 6 -1 83 439.491 8

Activity (Go SEA)

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