UCSF

ZINC35973452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 14 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) 0.28 1.9 -45.59 3 4 1 55 196.226 3
Hi High (pH 8-9.5) 0.28 1.47 -9.04 2 4 0 54 195.218 3

Activity (Go SEA)

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