UCSF

ZINC52286927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 2.11 4.02 -40.73 3 3 1 46 222.308 6
Hi High (pH 8-9.5) 2.11 2.72 -5.71 2 3 0 41 221.3 6

Activity (Go SEA)

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