UCSF

ZINC05602714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 25 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) 3.71 -1.89 -10.2 1 6 0 73 377.34 7
Hi High (pH 8-9.5) 3.71 -1.32 -42.02 0 6 -1 75 376.332 7

Activity (Go SEA)

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