UCSF

ZINC17994680

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 17 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) -1.46 -3.86 -15.72 5 8 0 138 237.219 2
Hi High (pH 8-9.5) -1.01 -6.01 -49.4 4 8 -1 141 236.211 2

Activity (Go SEA)

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