UCSF

ZINC33154786

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 23 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) 2.37 5.97 -13.87 1 5 0 69 327.361 3
Hi High (pH 8-9.5) 2.37 6.72 -44.85 0 5 -1 71 326.353 3

Activity (Go SEA)

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