UCSF

ZINC29744097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2009 29 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) 3.96 9.7 -15.78 1 7 0 89 438.563 6
Hi High (pH 8-9.5) 4.42 8.63 -45.03 0 7 -1 92 437.555 6

Activity (Go SEA)

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