UCSF

ZINC57292096

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 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) 4.56 8.88 -17.98 2 6 0 84 415.559 6
Hi High (pH 8-9.5) 5.02 7.58 -40.46 2 6 0 92 415.559 6
Mid Mid (pH 6-8) 4.56 9.48 -58.63 3 6 1 89 416.567 6

Activity (Go SEA)

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