UCSF

ZINC41682072

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.41 3.25 -97.36 3 5 2 58 253.412 9
Hi High (pH 8-9.5) 0.41 0.77 -50.06 2 5 1 57 252.404 9

Activity (Go SEA)

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