UCSF

ZINC33696624

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.87 10.81 -58.87 1 11 -1 156 488.479 9
Hi High (pH 8-9.5) 2.05 10.05 -96.05 0 11 -2 162 487.471 9

Activity (Go SEA)

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