UCSF

ZINC33551512

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 27 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) 3.46 6.85 -48.16 0 6 -1 78 382.827 3
Lo Low (pH 4.5-6) 3.00 8.61 -11.29 1 6 0 75 383.835 3

Activity (Go SEA)

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