UCSF

ZINC33830571

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 21 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) 3.06 8.63 -18.83 1 4 0 64 290.359 9
Hi High (pH 8-9.5) 3.81 7.58 -52.78 1 4 -1 70 289.351 8

Activity (Go SEA)

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