UCSF

ZINC43461002

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 3.97 4.77 -12.32 2 4 0 62 304.147 1
Hi High (pH 8-9.5) 3.97 4.34 -41.46 1 4 -1 60 303.139 1

Activity (Go SEA)

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