UCSF

ZINC29562053

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 27 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) 2.26 3.74 -82.3 6 6 2 105 370.449 6
Hi High (pH 8-9.5) 2.26 4.86 -49.54 5 6 1 108 369.441 6

Activity (Go SEA)

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