UCSF

ZINC60292701

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 31 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) 3.52 12.75 -45.44 3 6 1 81 419.549 4
Hi High (pH 8-9.5) 3.65 12.73 -47.16 3 6 1 78 419.549 4
Hi High (pH 8-9.5) 3.65 12.75 -13.71 2 6 0 76 418.541 4

Activity (Go SEA)

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