UCSF

ZINC05860066

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 20 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) 3.02 6.7 -15.63 2 5 0 71 355.261 5
Hi High (pH 8-9.5) 3.02 6.55 -42.51 1 5 -1 69 354.253 5

Activity (Go SEA)

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