UCSF

ZINC37859227

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 19 Yes

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) 0.55 0.73 -44.34 3 6 1 83 304.417 3
Hi High (pH 8-9.5) 0.55 -1.7 -10.47 2 6 0 82 303.409 3

Activity (Go SEA)

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