UCSF

ZINC41676203

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) -0.29 2.4 -99.58 4 6 2 73 282.454 10
Hi High (pH 8-9.5) -0.29 -0.05 -48.85 3 6 1 71 281.446 10

Activity (Go SEA)

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