UCSF

ZINC52268005

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) 1.92 2.9 -47.46 2 4 -1 81 243.666 3
Hi High (pH 8-9.5) 1.92 2.98 -91.96 1 4 -2 83 242.658 3

Activity (Go SEA)

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